data_complex10 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C20 H30 Cr Si' _chemical_formula_sum 'C20 H30 Cr Si' _chemical_formula_weight 350.53 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cr' 'Cr' 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.068(2) _cell_length_b 12.804(3) _cell_length_c 15.302(3) _cell_angle_alpha 100.87(4) _cell_angle_beta 105.80(6) _cell_angle_gamma 98.45(2) _cell_volume 1822.6(6) _cell_formula_units_Z 4 _cell_measurement_temperature 153 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 10.98 _cell_measurement_theta_max 12.76 _exptl_crystal_description plate _exptl_crystal_colour red _exptl_crystal_size_max 0.3 _exptl_crystal_size_mid 0.2 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.277 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 752 _exptl_absorpt_coefficient_mu 0.689 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 153 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Enraf Nonius CAD4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 3600 _diffrn_standards_interval_time ? _diffrn_standards_decay_% 2.4 _diffrn_reflns_number 6788 _diffrn_reflns_av_R_equivalents 0.0409 _diffrn_reflns_av_sigmaI/netI 0.1130 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.15 _diffrn_reflns_theta_max 24.96 _reflns_number_total 6382 _reflns_number_gt 3985 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Enraf Nonius' _computing_cell_refinement 'Enraf Nonius' _computing_data_reduction 'PLATON/HELENA (A.L.Spek)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0781P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6382 _refine_ls_number_parameters 417 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1308 _refine_ls_R_factor_gt 0.0563 _refine_ls_wR_factor_ref 0.1506 _refine_ls_wR_factor_gt 0.1262 _refine_ls_goodness_of_fit_ref 0.996 _refine_ls_restrained_S_all 0.996 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Cr1 Cr 0.17273(8) 0.73974(6) 0.42591(5) 0.0148(2) Uani 1 1 d . . . Si1 Si 0.24294(15) 0.68226(12) 0.59725(10) 0.0207(3) Uani 1 1 d . . . C1 C 0.0802(5) 0.6364(4) 0.4924(3) 0.0172(10) Uani 1 1 d . . . C2 C 0.0853(5) 0.5726(4) 0.4045(3) 0.0178(11) Uani 1 1 d . . . C3 C -0.0039(5) 0.6061(4) 0.3294(3) 0.0182(11) Uani 1 1 d . . . C4 C -0.0632(5) 0.6902(4) 0.3683(3) 0.0183(11) Uani 1 1 d . . . C5 C -0.0138(5) 0.7108(4) 0.4665(3) 0.0181(11) Uani 1 1 d . . . C6 C 0.3442(5) 0.7801(4) 0.5474(3) 0.0173(10) Uani 1 1 d . . . C7 C 0.3920(5) 0.7384(4) 0.4684(3) 0.0179(11) Uani 1 1 d . . . C8 C 0.3768(5) 0.8096(4) 0.4074(3) 0.0192(11) Uani 1 1 d . . . C9 C 0.3221(5) 0.8964(4) 0.4460(3) 0.0202(11) Uani 1 1 d . . . C10 C 0.2991(5) 0.8793(4) 0.5314(3) 0.0201(11) Uani 1 1 d . . . C11 C 0.1509(6) 0.4755(4) 0.3894(4) 0.0262(12) Uani 1 1 d . . . H11A H 0.0771 0.4090 0.3674 0.039 Uiso 1 1 calc R . . H11B H 0.2187 0.4737 0.4485 0.039 Uiso 1 1 calc R . . H11C H 0.1998 0.4805 0.3426 0.039 Uiso 1 1 calc R . . C12 C -0.0304(6) 0.5564(4) 0.2282(4) 0.0300(13) Uani 1 1 d . . . H12A H -0.0867 0.4823 0.2118 0.045 Uiso 1 1 calc R . . H12B H 0.0599 0.5543 0.2160 0.045 Uiso 1 1 calc R . . H12C H -0.0818 0.6001 0.1903 0.045 Uiso 1 1 calc R . . C13 C -0.1728(6) 0.7416(4) 0.3148(4) 0.0275(12) Uani 1 1 d . . . H13A H -0.2663 0.7077 0.3154 0.041 Uiso 1 1 calc R . . H13B H -0.1711 0.7312 0.2500 0.041 Uiso 1 1 calc R . . H13C H -0.1527 0.8196 0.3439 0.041 Uiso 1 1 calc R . . C14 C -0.0724(6) 0.7824(4) 0.5293(4) 0.0274(12) Uani 1 1 d . . . H14A H -0.1689 0.7469 0.5227 0.041 Uiso 1 1 calc R . . H14B H -0.0733 0.8521 0.5118 0.041 Uiso 1 1 calc R . . H14C H -0.0133 0.7949 0.5944 0.041 Uiso 1 1 calc R . . C15 C 0.4724(5) 0.6485(4) 0.4577(4) 0.0264(12) Uani 1 1 d . . . H15A H 0.5736 0.6801 0.4761 0.040 Uiso 1 1 calc R . . H15B H 0.4403 0.6071 0.3922 0.040 Uiso 1 1 calc R . . H15C H 0.4554 0.5998 0.4976 0.040 Uiso 1 1 calc R . . C16 C 0.4195(6) 0.7965(5) 0.3202(4) 0.0274(12) Uani 1 1 d . . . H16A H 0.5224 0.8059 0.3368 0.041 Uiso 1 1 calc R . . H16B H 0.3891 0.8513 0.2868 0.041 Uiso 1 1 calc R . . H16C H 0.3749 0.7236 0.2799 0.041 Uiso 1 1 calc R . . C17 C 0.2968(6) 0.9941(4) 0.4074(4) 0.0282(13) Uani 1 1 d . . . H17A H 0.3760 1.0556 0.4409 0.042 Uiso 1 1 calc R . . H17B H 0.2093 1.0131 0.4153 0.042 Uiso 1 1 calc R . . H17C H 0.2886 0.9771 0.3407 0.042 Uiso 1 1 calc R . . C18 C 0.2576(6) 0.9614(4) 0.5967(4) 0.0309(13) Uani 1 1 d . . . H18A H 0.3425 1.0074 0.6444 0.046 Uiso 1 1 calc R . . H18B H 0.1979 0.9238 0.6271 0.046 Uiso 1 1 calc R . . H18C H 0.2052 1.0068 0.5614 0.046 Uiso 1 1 calc R . . C19 C 0.3295(6) 0.5694(5) 0.6300(4) 0.0340(14) Uani 1 1 d . . . H19A H 0.4140 0.5994 0.6842 0.051 Uiso 1 1 calc R . . H19B H 0.3561 0.5324 0.5772 0.051 Uiso 1 1 calc R . . H19C H 0.2635 0.5173 0.6457 0.051 Uiso 1 1 calc R . . C20 C 0.2117(6) 0.7466(5) 0.7077(4) 0.0365(15) Uani 1 1 d . . . H20A H 0.3008 0.7661 0.7591 0.055 Uiso 1 1 calc R . . H20B H 0.1429 0.6952 0.7219 0.055 Uiso 1 1 calc R . . H20C H 0.1751 0.8122 0.7003 0.055 Uiso 1 1 calc R . . Cr2 Cr 0.68839(8) 0.75882(6) 0.92812(5) 0.0154(2) Uani 1 1 d . . . Si2 Si 0.92876(15) 0.83232(12) 1.08510(10) 0.0215(3) Uani 1 1 d . . . C21 C 0.7669(5) 0.7204(4) 1.0554(3) 0.0190(11) Uani 1 1 d . . . C22 C 0.7402(5) 0.6231(4) 0.9811(3) 0.0199(11) Uani 1 1 d . . . C23 C 0.5921(5) 0.5925(4) 0.9338(3) 0.0216(12) Uani 1 1 d . . . C24 C 0.5249(5) 0.6669(4) 0.9741(3) 0.0212(11) Uani 1 1 d . . . C25 C 0.6278(5) 0.7461(4) 1.0492(3) 0.0175(11) Uani 1 1 d . . . C26 C 0.8745(5) 0.8769(4) 0.9727(3) 0.0197(11) Uani 1 1 d . . . C27 C 0.8655(5) 0.8055(4) 0.8829(3) 0.0195(11) Uani 1 1 d . . . C28 C 0.7474(5) 0.8195(4) 0.8131(3) 0.0202(11) Uani 1 1 d . . . C29 C 0.6803(5) 0.8947(4) 0.8543(3) 0.0195(11) Uani 1 1 d . . . C30 C 0.7550(5) 0.9303(4) 0.9524(3) 0.0181(11) Uani 1 1 d . . . C31 C 0.8443(6) 0.5540(4) 0.9652(4) 0.0280(12) Uani 1 1 d . . . H31A H 0.8537 0.5057 1.0082 0.042 Uiso 1 1 calc R . . H31B H 0.9364 0.6010 0.9765 0.042 Uiso 1 1 calc R . . H31C H 0.8106 0.5102 0.9005 0.042 Uiso 1 1 calc R . . C32 C 0.5208(6) 0.4923(4) 0.8551(4) 0.0341(14) Uani 1 1 d . . . H32A H 0.5025 0.4295 0.8814 0.051 Uiso 1 1 calc R . . H32B H 0.5823 0.4789 0.8163 0.051 Uiso 1 1 calc R . . H32C H 0.4312 0.5037 0.8168 0.051 Uiso 1 1 calc R . . C33 C 0.3684(5) 0.6635(5) 0.9470(4) 0.0322(14) Uani 1 1 d . . . H33A H 0.3289 0.6336 0.9912 0.048 Uiso 1 1 calc R . . H33B H 0.3226 0.6173 0.8837 0.048 Uiso 1 1 calc R . . H33C H 0.3520 0.7373 0.9485 0.048 Uiso 1 1 calc R . . C34 C 0.5901(6) 0.8266(4) 1.1179(3) 0.0251(12) Uani 1 1 d . . . H34A H 0.5620 0.7908 1.1632 0.038 Uiso 1 1 calc R . . H34B H 0.5116 0.8557 1.0847 0.038 Uiso 1 1 calc R . . H34C H 0.6720 0.8863 1.1508 0.038 Uiso 1 1 calc R . . C35 C 0.9728(5) 0.7438(4) 0.8609(4) 0.0278(12) Uani 1 1 d . . . H35A H 1.0323 0.7865 0.8335 0.042 Uiso 1 1 calc R . . H35B H 0.9244 0.6742 0.8163 0.042 Uiso 1 1 calc R . . H35C H 1.0318 0.7305 0.9185 0.042 Uiso 1 1 calc R . . C36 C 0.7081(6) 0.7650(4) 0.7109(3) 0.0264(12) Uani 1 1 d . . . H36A H 0.7742 0.8002 0.6834 0.040 Uiso 1 1 calc R . . H36B H 0.6120 0.7713 0.6790 0.040 Uiso 1 1 calc R . . H36C H 0.7123 0.6880 0.7038 0.040 Uiso 1 1 calc R . . C37 C 0.5573(6) 0.9370(4) 0.8062(4) 0.0245(12) Uani 1 1 d . . . H37A H 0.5892 1.0124 0.8044 0.037 Uiso 1 1 calc R . . H37B H 0.4880 0.9341 0.8404 0.037 Uiso 1 1 calc R . . H37C H 0.5137 0.8922 0.7422 0.037 Uiso 1 1 calc R . . C38 C 0.7259(6) 1.0214(4) 1.0159(3) 0.0256(12) Uani 1 1 d . . . H38B H 0.7593 1.0904 1.0020 0.038 Uiso 1 1 calc R . . H38C H 0.7752 1.0230 1.0810 0.038 Uiso 1 1 calc R . . H38D H 0.6241 1.0109 1.0063 0.038 Uiso 1 1 calc R . . C39 C 1.0980(6) 0.7859(5) 1.1103(4) 0.0370(15) Uani 1 1 d . . . H39A H 1.1154 0.7623 1.1690 0.056 Uiso 1 1 calc R . . H39D H 1.1749 0.8458 1.1161 0.056 Uiso 1 1 calc R . . H39B H 1.0930 0.7249 1.0592 0.056 Uiso 1 1 calc R . . C40 C 0.9603(6) 0.9436(4) 1.1916(3) 0.0324(14) Uani 1 1 d . . . H40D H 0.9965 0.9172 1.2477 0.049 Uiso 1 1 calc R . . H40A H 0.8714 0.9661 1.1917 0.049 Uiso 1 1 calc R . . H40B H 1.0294 1.0058 1.1912 0.049 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cr1 0.0159(4) 0.0151(4) 0.0148(4) 0.0060(3) 0.0048(3) 0.0037(3) Si1 0.0236(8) 0.0250(8) 0.0155(7) 0.0103(6) 0.0059(6) 0.0048(6) C1 0.021(3) 0.018(3) 0.018(2) 0.010(2) 0.009(2) 0.005(2) C2 0.018(3) 0.017(3) 0.018(3) 0.004(2) 0.006(2) 0.000(2) C3 0.019(3) 0.016(3) 0.019(3) 0.005(2) 0.006(2) 0.000(2) C4 0.015(2) 0.019(3) 0.025(3) 0.010(2) 0.008(2) 0.007(2) C5 0.019(3) 0.018(3) 0.018(3) 0.007(2) 0.006(2) 0.003(2) C6 0.020(3) 0.018(3) 0.016(2) 0.009(2) 0.007(2) 0.004(2) C7 0.018(3) 0.020(3) 0.018(3) 0.006(2) 0.008(2) 0.005(2) C8 0.014(3) 0.027(3) 0.017(3) 0.006(2) 0.005(2) 0.004(2) C9 0.022(3) 0.018(3) 0.019(3) 0.009(2) 0.001(2) 0.000(2) C10 0.019(3) 0.018(3) 0.022(3) 0.005(2) 0.005(2) 0.001(2) C11 0.029(3) 0.023(3) 0.026(3) 0.003(2) 0.009(2) 0.010(2) C12 0.032(3) 0.030(3) 0.025(3) 0.009(2) 0.004(2) 0.004(3) C13 0.027(3) 0.034(3) 0.022(3) 0.010(2) 0.003(2) 0.015(2) C14 0.032(3) 0.031(3) 0.026(3) 0.011(2) 0.014(2) 0.012(3) C15 0.024(3) 0.029(3) 0.029(3) 0.007(2) 0.011(2) 0.010(2) C16 0.024(3) 0.038(3) 0.027(3) 0.017(2) 0.013(2) 0.004(2) C17 0.034(3) 0.018(3) 0.035(3) 0.012(2) 0.008(3) 0.007(2) C18 0.035(3) 0.029(3) 0.027(3) 0.003(2) 0.008(3) 0.008(3) C19 0.033(3) 0.040(3) 0.029(3) 0.024(3) 0.001(3) 0.005(3) C20 0.042(4) 0.053(4) 0.013(3) 0.009(3) 0.009(3) 0.003(3) Cr2 0.0183(4) 0.0159(4) 0.0133(4) 0.0067(3) 0.0048(3) 0.0034(3) Si2 0.0198(7) 0.0257(8) 0.0168(7) 0.0083(6) 0.0016(6) 0.0018(6) C21 0.022(3) 0.020(3) 0.017(3) 0.011(2) 0.003(2) 0.007(2) C22 0.025(3) 0.021(3) 0.017(3) 0.011(2) 0.007(2) 0.005(2) C23 0.029(3) 0.018(3) 0.015(3) 0.009(2) 0.001(2) 0.001(2) C24 0.018(3) 0.029(3) 0.021(3) 0.016(2) 0.008(2) 0.001(2) C25 0.022(3) 0.018(3) 0.015(2) 0.012(2) 0.006(2) 0.003(2) C26 0.018(3) 0.019(3) 0.018(3) 0.007(2) 0.000(2) -0.001(2) C27 0.017(3) 0.022(3) 0.024(3) 0.011(2) 0.011(2) 0.004(2) C28 0.025(3) 0.019(3) 0.017(3) 0.007(2) 0.007(2) 0.000(2) C29 0.028(3) 0.017(3) 0.017(3) 0.010(2) 0.010(2) 0.003(2) C30 0.022(3) 0.016(3) 0.015(2) 0.006(2) 0.006(2) 0.000(2) C31 0.040(3) 0.024(3) 0.025(3) 0.010(2) 0.011(2) 0.015(2) C32 0.046(4) 0.026(3) 0.022(3) 0.007(2) -0.001(3) 0.002(3) C33 0.020(3) 0.040(3) 0.036(3) 0.019(3) 0.005(2) 0.000(2) C34 0.032(3) 0.032(3) 0.023(3) 0.015(2) 0.015(2) 0.019(2) C35 0.024(3) 0.037(3) 0.026(3) 0.010(2) 0.011(2) 0.009(2) C36 0.038(3) 0.026(3) 0.017(3) 0.005(2) 0.011(2) 0.009(2) C37 0.030(3) 0.023(3) 0.023(3) 0.010(2) 0.006(2) 0.010(2) C38 0.037(3) 0.018(3) 0.019(3) 0.002(2) 0.005(2) 0.007(2) C39 0.023(3) 0.053(4) 0.036(3) 0.020(3) 0.005(3) 0.005(3) C40 0.043(4) 0.029(3) 0.016(3) 0.006(2) 0.001(2) -0.005(3) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Cr1 C1 2.077(5) . ? Cr1 C6 2.081(5) . ? Cr1 C2 2.118(5) . ? Cr1 C7 2.128(5) . ? Cr1 C10 2.132(5) . ? Cr1 C5 2.137(5) . ? Cr1 C8 2.231(5) . ? Cr1 C3 2.235(5) . ? Cr1 C9 2.238(5) . ? Cr1 C4 2.243(5) . ? Cr1 Si1 2.7905(18) . ? Si1 C20 1.864(6) . ? Si1 C19 1.872(5) . ? Si1 C1 1.880(5) . ? Si1 C6 1.897(5) . ? C1 C2 1.454(7) . ? C1 C5 1.470(7) . ? C2 C3 1.431(7) . ? C2 C11 1.501(7) . ? C3 C4 1.418(7) . ? C3 C12 1.493(7) . ? C4 C5 1.407(7) . ? C4 C13 1.500(7) . ? C5 C14 1.499(7) . ? C6 C10 1.451(7) . ? C6 C7 1.458(7) . ? C7 C8 1.418(7) . ? C7 C15 1.512(7) . ? C8 C9 1.414(7) . ? C8 C16 1.497(7) . ? C9 C10 1.436(7) . ? C9 C17 1.507(6) . ? C10 C18 1.496(7) . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C11 H11C 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? C17 H17A 0.9800 . ? C17 H17B 0.9800 . ? C17 H17C 0.9800 . ? C18 H18A 0.9800 . ? C18 H18B 0.9800 . ? C18 H18C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C19 H19C 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? Cr2 C21 2.073(5) . ? Cr2 C26 2.084(5) . ? Cr2 C22 2.125(5) . ? Cr2 C27 2.128(5) . ? Cr2 C30 2.129(5) . ? Cr2 C25 2.129(5) . ? Cr2 C24 2.228(5) . ? Cr2 C23 2.234(5) . ? Cr2 C28 2.237(5) . ? Cr2 C29 2.246(5) . ? Cr2 Si2 2.797(3) . ? Si2 C39 1.852(6) . ? Si2 C40 1.870(6) . ? Si2 C26 1.880(5) . ? Si2 C21 1.893(5) . ? C21 C22 1.455(7) . ? C21 C25 1.468(7) . ? C22 C23 1.426(7) . ? C22 C31 1.508(7) . ? C23 C24 1.394(7) . ? C23 C32 1.512(7) . ? C24 C25 1.423(7) . ? C24 C33 1.508(7) . ? C25 C34 1.495(7) . ? C26 C30 1.459(7) . ? C26 C27 1.471(7) . ? C27 C28 1.425(7) . ? C27 C35 1.501(7) . ? C28 C29 1.405(7) . ? C28 C36 1.503(7) . ? C29 C30 1.433(7) . ? C29 C37 1.490(7) . ? C30 C38 1.490(7) . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? C33 H33A 0.9800 . ? C33 H33B 0.9800 . ? C33 H33C 0.9800 . ? C34 H34A 0.9800 . ? C34 H34B 0.9800 . ? C34 H34C 0.9800 . ? C35 H35A 0.9800 . ? C35 H35B 0.9800 . ? C35 H35C 0.9800 . ? C36 H36A 0.9800 . ? C36 H36B 0.9800 . ? C36 H36C 0.9800 . ? C37 H37A 0.9800 . ? C37 H37B 0.9800 . ? C37 H37C 0.9800 . ? C38 H38B 0.9800 . ? C38 H38C 0.9800 . ? C38 H38D 0.9800 . ? C39 H39A 0.9800 . ? C39 H39D 0.9800 . ? C39 H39B 0.9800 . ? C40 H40D 0.9800 . ? C40 H40A 0.9800 . ? C40 H40B 0.9800 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 Cr1 C6 85.18(19) . . ? C1 Cr1 C2 40.54(18) . . ? C6 Cr1 C2 106.39(19) . . ? C1 Cr1 C7 106.11(19) . . ? C6 Cr1 C7 40.50(18) . . ? C2 Cr1 C7 100.42(19) . . ? C1 Cr1 C10 107.07(19) . . ? C6 Cr1 C10 40.28(19) . . ? C2 Cr1 C10 142.47(19) . . ? C7 Cr1 C10 66.0(2) . . ? C1 Cr1 C5 40.79(18) . . ? C6 Cr1 C5 107.18(19) . . ? C2 Cr1 C5 66.36(19) . . ? C7 Cr1 C5 142.58(18) . . ? C10 Cr1 C5 102.34(19) . . ? C1 Cr1 C8 143.99(19) . . ? C6 Cr1 C8 65.75(18) . . ? C2 Cr1 C8 126.5(2) . . ? C7 Cr1 C8 37.88(17) . . ? C10 Cr1 C8 64.23(19) . . ? C5 Cr1 C8 165.98(19) . . ? C1 Cr1 C3 65.62(18) . . ? C6 Cr1 C3 144.63(18) . . ? C2 Cr1 C3 38.25(18) . . ? C7 Cr1 C3 127.56(19) . . ? C10 Cr1 C3 165.22(19) . . ? C5 Cr1 C3 63.50(18) . . ? C8 Cr1 C3 129.47(18) . . ? C1 Cr1 C9 145.27(19) . . ? C6 Cr1 C9 65.34(18) . . ? C2 Cr1 C9 162.84(19) . . ? C7 Cr1 C9 63.26(19) . . ? C10 Cr1 C9 38.29(18) . . ? C5 Cr1 C9 129.64(19) . . ? C8 Cr1 C9 36.89(19) . . ? C3 Cr1 C9 148.15(18) . . ? C1 Cr1 C4 65.32(19) . . ? C6 Cr1 C4 144.52(19) . . ? C2 Cr1 C4 63.86(18) . . ? C7 Cr1 C4 163.72(18) . . ? C10 Cr1 C4 128.83(19) . . ? C5 Cr1 C4 37.37(17) . . ? C8 Cr1 C4 148.64(18) . . ? C3 Cr1 C4 36.94(18) . . ? C9 Cr1 C4 131.83(18) . . ? C1 Cr1 Si1 42.35(14) . . ? C6 Cr1 Si1 42.83(14) . . ? C2 Cr1 Si1 70.99(14) . . ? C7 Cr1 Si1 71.18(14) . . ? C10 Cr1 Si1 71.49(14) . . ? C5 Cr1 Si1 71.41(14) . . ? C8 Cr1 Si1 105.99(14) . . ? C3 Cr1 Si1 105.71(13) . . ? C9 Cr1 Si1 106.11(14) . . ? C4 Cr1 Si1 105.34(14) . . ? C20 Si1 C19 102.7(3) . . ? C20 Si1 C1 114.5(3) . . ? C19 Si1 C1 114.0(2) . . ? C20 Si1 C6 114.4(3) . . ? C19 Si1 C6 115.6(2) . . ? C1 Si1 C6 96.3(2) . . ? C20 Si1 Cr1 128.1(2) . . ? C19 Si1 Cr1 129.2(2) . . ? C1 Si1 Cr1 48.11(15) . . ? C6 Si1 Cr1 48.21(15) . . ? C2 C1 C5 105.6(4) . . ? C2 C1 Si1 120.5(4) . . ? C5 C1 Si1 121.1(3) . . ? C2 C1 Cr1 71.2(3) . . ? C5 C1 Cr1 71.8(3) . . ? Si1 C1 Cr1 89.5(2) . . ? C3 C2 C1 108.4(4) . . ? C3 C2 C11 122.9(4) . . ? C1 C2 C11 128.0(4) . . ? C3 C2 Cr1 75.3(3) . . ? C1 C2 Cr1 68.2(3) . . ? C11 C2 Cr1 129.8(4) . . ? C4 C3 C2 108.3(4) . . ? C4 C3 C12 127.3(5) . . ? C2 C3 C12 124.4(5) . . ? C4 C3 Cr1 71.8(3) . . ? C2 C3 Cr1 66.4(3) . . ? C12 C3 Cr1 128.6(4) . . ? C5 C4 C3 109.2(4) . . ? C5 C4 C13 124.5(5) . . ? C3 C4 C13 126.0(5) . . ? C5 C4 Cr1 67.2(3) . . ? C3 C4 Cr1 71.2(3) . . ? C13 C4 Cr1 132.4(4) . . ? C4 C5 C1 108.5(4) . . ? C4 C5 C14 123.1(4) . . ? C1 C5 C14 127.5(4) . . ? C4 C5 Cr1 75.4(3) . . ? C1 C5 Cr1 67.4(3) . . ? C14 C5 Cr1 131.8(4) . . ? C10 C6 C7 105.8(4) . . ? C10 C6 Si1 121.1(4) . . ? C7 C6 Si1 119.9(3) . . ? C10 C6 Cr1 71.7(3) . . ? C7 C6 Cr1 71.5(3) . . ? Si1 C6 Cr1 89.0(2) . . ? C8 C7 C6 109.2(4) . . ? C8 C7 C15 121.8(4) . . ? C6 C7 C15 128.0(4) . . ? C8 C7 Cr1 75.0(3) . . ? C6 C7 Cr1 68.0(3) . . ? C15 C7 Cr1 132.4(3) . . ? C9 C8 C7 108.0(4) . . ? C9 C8 C16 126.8(4) . . ? C7 C8 C16 125.1(5) . . ? C9 C8 Cr1 71.8(3) . . ? C7 C8 Cr1 67.1(3) . . ? C16 C8 Cr1 129.0(4) . . ? C8 C9 C10 109.0(4) . . ? C8 C9 C17 126.2(5) . . ? C10 C9 C17 124.7(5) . . ? C8 C9 Cr1 71.3(3) . . ? C10 C9 Cr1 66.8(3) . . ? C17 C9 Cr1 129.8(4) . . ? C9 C10 C6 107.9(4) . . ? C9 C10 C18 123.6(5) . . ? C6 C10 C18 127.8(4) . . ? C9 C10 Cr1 74.9(3) . . ? C6 C10 Cr1 68.0(3) . . ? C18 C10 Cr1 130.1(4) . . ? C2 C11 H11A 109.5 . . ? C2 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C2 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C3 C12 H12A 109.5 . . ? C3 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C3 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C4 C13 H13A 109.5 . . ? C4 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C4 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C5 C14 H14A 109.5 . . ? C5 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C5 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C7 C15 H15A 109.5 . . ? C7 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C7 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C8 C16 H16A 109.5 . . ? C8 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C8 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C9 C17 H17A 109.5 . . ? C9 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C9 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C10 C18 H18A 109.5 . . ? C10 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C10 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? Si1 C19 H19A 109.5 . . ? Si1 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? Si1 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? Si1 C20 H20A 109.5 . . ? Si1 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? Si1 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? C21 Cr2 C26 84.8(2) . . ? C21 Cr2 C22 40.52(19) . . ? C26 Cr2 C22 106.4(2) . . ? C21 Cr2 C27 106.5(2) . . ? C26 Cr2 C27 40.86(19) . . ? C22 Cr2 C27 101.14(19) . . ? C21 Cr2 C30 106.3(2) . . ? C26 Cr2 C30 40.51(19) . . ? C22 Cr2 C30 142.19(19) . . ? C27 Cr2 C30 66.5(2) . . ? C21 Cr2 C25 40.87(19) . . ? C26 Cr2 C25 106.8(2) . . ? C22 Cr2 C25 66.19(19) . . ? C27 Cr2 C25 142.9(2) . . ? C30 Cr2 C25 101.41(19) . . ? C21 Cr2 C24 65.91(19) . . ? C26 Cr2 C24 144.86(19) . . ? C22 Cr2 C24 63.66(19) . . ? C27 Cr2 C24 164.0(2) . . ? C30 Cr2 C24 128.5(2) . . ? C25 Cr2 C24 38.06(18) . . ? C21 Cr2 C23 65.59(19) . . ? C26 Cr2 C23 144.48(19) . . ? C22 Cr2 C23 38.10(19) . . ? C27 Cr2 C23 128.0(2) . . ? C30 Cr2 C23 164.17(19) . . ? C25 Cr2 C23 63.35(19) . . ? C24 Cr2 C23 36.40(19) . . ? C21 Cr2 C28 144.5(2) . . ? C26 Cr2 C28 65.53(19) . . ? C22 Cr2 C28 128.40(19) . . ? C27 Cr2 C28 38.00(19) . . ? C30 Cr2 C28 63.59(18) . . ? C25 Cr2 C28 164.24(18) . . ? C24 Cr2 C28 148.21(19) . . ? C23 Cr2 C28 131.09(18) . . ? C21 Cr2 C29 144.42(19) . . ? C26 Cr2 C29 65.56(19) . . ? C22 Cr2 C29 164.27(19) . . ? C27 Cr2 C29 63.73(19) . . ? C30 Cr2 C29 38.13(18) . . ? C25 Cr2 C29 128.26(19) . . ? C24 Cr2 C29 130.88(19) . . ? C23 Cr2 C29 148.56(19) . . ? C28 Cr2 C29 36.53(18) . . ? C21 Cr2 Si2 42.58(15) . . ? C26 Cr2 Si2 42.22(14) . . ? C22 Cr2 Si2 71.47(14) . . ? C27 Cr2 Si2 71.41(14) . . ? C30 Cr2 Si2 70.72(14) . . ? C25 Cr2 Si2 71.54(14) . . ? C24 Cr2 Si2 106.16(14) . . ? C23 Cr2 Si2 106.02(14) . . ? C28 Cr2 Si2 105.63(14) . . ? C29 Cr2 Si2 105.42(14) . . ? C39 Si2 C40 101.9(3) . . ? C39 Si2 C26 115.6(3) . . ? C40 Si2 C26 113.4(2) . . ? C39 Si2 C21 114.4(3) . . ? C40 Si2 C21 116.3(3) . . ? C26 Si2 C21 96.0(2) . . ? C39 Si2 Cr2 129.5(2) . . ? C40 Si2 Cr2 128.5(2) . . ? C26 Si2 Cr2 48.16(15) . . ? C21 Si2 Cr2 47.83(15) . . ? C22 C21 C25 105.3(4) . . ? C22 C21 Si2 121.3(4) . . ? C25 C21 Si2 120.8(3) . . ? C22 C21 Cr2 71.7(3) . . ? C25 C21 Cr2 71.6(3) . . ? Si2 C21 Cr2 89.6(2) . . ? C23 C22 C21 108.4(4) . . ? C23 C22 C31 124.0(5) . . ? C21 C22 C31 126.8(4) . . ? C23 C22 Cr2 75.1(3) . . ? C21 C22 Cr2 67.8(3) . . ? C31 C22 Cr2 130.5(3) . . ? C24 C23 C22 109.1(4) . . ? C24 C23 C32 126.1(5) . . ? C22 C23 C32 124.8(5) . . ? C24 C23 Cr2 71.5(3) . . ? C22 C23 Cr2 66.8(3) . . ? C32 C23 Cr2 129.6(4) . . ? C23 C24 C25 109.0(4) . . ? C23 C24 C33 126.6(5) . . ? C25 C24 C33 124.4(5) . . ? C23 C24 Cr2 72.1(3) . . ? C25 C24 Cr2 67.2(3) . . ? C33 C24 Cr2 128.7(3) . . ? C24 C25 C21 108.2(4) . . ? C24 C25 C34 123.0(5) . . ? C21 C25 C34 127.8(4) . . ? C24 C25 Cr2 74.7(3) . . ? C21 C25 Cr2 67.5(3) . . ? C34 C25 Cr2 132.1(3) . . ? C30 C26 C27 105.6(4) . . ? C30 C26 Si2 120.2(4) . . ? C27 C26 Si2 121.2(4) . . ? C30 C26 Cr2 71.4(3) . . ? C27 C26 Cr2 71.2(3) . . ? Si2 C26 Cr2 89.6(2) . . ? C28 C27 C26 107.9(4) . . ? C28 C27 C35 123.4(5) . . ? C26 C27 C35 127.8(5) . . ? C28 C27 Cr2 75.1(3) . . ? C26 C27 Cr2 67.9(3) . . ? C35 C27 Cr2 131.1(4) . . ? C29 C28 C27 109.5(4) . . ? C29 C28 C36 126.5(5) . . ? C27 C28 C36 123.9(5) . . ? C29 C28 Cr2 72.1(3) . . ? C27 C28 Cr2 66.9(3) . . ? C36 C28 Cr2 129.6(3) . . ? C28 C29 C30 108.4(4) . . ? C28 C29 C37 127.3(4) . . ? C30 C29 C37 124.2(5) . . ? C28 C29 Cr2 71.4(3) . . ? C30 C29 Cr2 66.5(3) . . ? C37 C29 Cr2 130.1(3) . . ? C29 C30 C26 108.6(4) . . ? C29 C30 C38 123.1(5) . . ? C26 C30 C38 127.5(4) . . ? C29 C30 Cr2 75.4(3) . . ? C26 C30 Cr2 68.1(3) . . ? C38 C30 Cr2 130.9(4) . . ? C22 C31 H31A 109.5 . . ? C22 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? C22 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? C23 C32 H32A 109.5 . . ? C23 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? C23 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? C24 C33 H33A 109.5 . . ? C24 C33 H33B 109.5 . . ? H33A C33 H33B 109.5 . . ? C24 C33 H33C 109.5 . . ? H33A C33 H33C 109.5 . . ? H33B C33 H33C 109.5 . . ? C25 C34 H34A 109.5 . . ? C25 C34 H34B 109.5 . . ? H34A C34 H34B 109.5 . . ? C25 C34 H34C 109.5 . . ? H34A C34 H34C 109.5 . . ? H34B C34 H34C 109.5 . . ? C27 C35 H35A 109.5 . . ? C27 C35 H35B 109.5 . . ? H35A C35 H35B 109.5 . . ? C27 C35 H35C 109.5 . . ? H35A C35 H35C 109.5 . . ? H35B C35 H35C 109.5 . . ? C28 C36 H36A 109.5 . . ? C28 C36 H36B 109.5 . . ? H36A C36 H36B 109.5 . . ? C28 C36 H36C 109.5 . . ? H36A C36 H36C 109.5 . . ? H36B C36 H36C 109.5 . . ? C29 C37 H37A 109.5 . . ? C29 C37 H37B 109.5 . . ? H37A C37 H37B 109.5 . . ? C29 C37 H37C 109.5 . . ? H37A C37 H37C 109.5 . . ? H37B C37 H37C 109.5 . . ? C30 C38 H38B 109.5 . . ? C30 C38 H38C 109.5 . . ? H38B C38 H38C 109.5 . . ? C30 C38 H38D 109.5 . . ? H38B C38 H38D 109.5 . . ? H38C C38 H38D 109.5 . . ? Si2 C39 H39A 109.5 . . ? Si2 C39 H39D 109.5 . . ? H39A C39 H39D 109.5 . . ? Si2 C39 H39B 109.5 . . ? H39A C39 H39B 109.5 . . ? H39D C39 H39B 109.5 . . ? Si2 C40 H40D 109.5 . . ? Si2 C40 H40A 109.5 . . ? H40D C40 H40A 109.5 . . ? Si2 C40 H40B 109.5 . . ? H40D C40 H40B 109.5 . . ? H40A C40 H40B 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C1 Cr1 Si1 C20 -90.3(3) . . . . ? C6 Cr1 Si1 C20 90.1(3) . . . . ? C2 Cr1 Si1 C20 -125.7(3) . . . . ? C7 Cr1 Si1 C20 125.6(3) . . . . ? C10 Cr1 Si1 C20 55.4(3) . . . . ? C5 Cr1 Si1 C20 -55.1(3) . . . . ? C8 Cr1 Si1 C20 110.5(3) . . . . ? C3 Cr1 Si1 C20 -109.4(3) . . . . ? C9 Cr1 Si1 C20 72.0(3) . . . . ? C4 Cr1 Si1 C20 -71.0(3) . . . . ? C1 Cr1 Si1 C19 88.5(3) . . . . ? C6 Cr1 Si1 C19 -91.0(3) . . . . ? C2 Cr1 Si1 C19 53.1(3) . . . . ? C7 Cr1 Si1 C19 -55.5(3) . . . . ? C10 Cr1 Si1 C19 -125.7(3) . . . . ? C5 Cr1 Si1 C19 123.8(3) . . . . ? C8 Cr1 Si1 C19 -70.7(3) . . . . ? C3 Cr1 Si1 C19 69.5(3) . . . . ? C9 Cr1 Si1 C19 -109.1(3) . . . . ? C4 Cr1 Si1 C19 107.9(3) . . . . ? C6 Cr1 Si1 C1 -179.6(3) . . . . ? C2 Cr1 Si1 C1 -35.4(2) . . . . ? C7 Cr1 Si1 C1 -144.0(2) . . . . ? C10 Cr1 Si1 C1 145.8(3) . . . . ? C5 Cr1 Si1 C1 35.2(2) . . . . ? C8 Cr1 Si1 C1 -159.2(2) . . . . ? C3 Cr1 Si1 C1 -19.1(2) . . . . ? C9 Cr1 Si1 C1 162.4(3) . . . . ? C4 Cr1 Si1 C1 19.3(2) . . . . ? C1 Cr1 Si1 C6 179.6(3) . . . . ? C2 Cr1 Si1 C6 144.2(3) . . . . ? C7 Cr1 Si1 C6 35.5(2) . . . . ? C10 Cr1 Si1 C6 -34.7(2) . . . . ? C5 Cr1 Si1 C6 -145.2(2) . . . . ? C8 Cr1 Si1 C6 20.4(2) . . . . ? C3 Cr1 Si1 C6 160.5(2) . . . . ? C9 Cr1 Si1 C6 -18.1(2) . . . . ? C4 Cr1 Si1 C6 -161.1(2) . . . . ? C20 Si1 C1 C2 -172.1(4) . . . . ? C19 Si1 C1 C2 -54.2(4) . . . . ? C6 Si1 C1 C2 67.4(4) . . . . ? Cr1 Si1 C1 C2 67.8(3) . . . . ? C20 Si1 C1 C5 51.8(5) . . . . ? C19 Si1 C1 C5 169.7(4) . . . . ? C6 Si1 C1 C5 -68.6(4) . . . . ? Cr1 Si1 C1 C5 -68.3(3) . . . . ? C20 Si1 C1 Cr1 120.1(2) . . . . ? C19 Si1 C1 Cr1 -122.0(2) . . . . ? C6 Si1 C1 Cr1 -0.3(2) . . . . ? C6 Cr1 C1 C2 -122.3(3) . . . . ? C7 Cr1 C1 C2 -87.2(3) . . . . ? C10 Cr1 C1 C2 -156.5(3) . . . . ? C5 Cr1 C1 C2 114.2(4) . . . . ? C8 Cr1 C1 C2 -87.1(4) . . . . ? C3 Cr1 C1 C2 37.2(3) . . . . ? C9 Cr1 C1 C2 -153.3(3) . . . . ? C4 Cr1 C1 C2 78.0(3) . . . . ? Si1 Cr1 C1 C2 -122.6(3) . . . . ? C6 Cr1 C1 C5 123.5(3) . . . . ? C2 Cr1 C1 C5 -114.2(4) . . . . ? C7 Cr1 C1 C5 158.5(3) . . . . ? C10 Cr1 C1 C5 89.2(3) . . . . ? C8 Cr1 C1 C5 158.7(3) . . . . ? C3 Cr1 C1 C5 -77.0(3) . . . . ? C9 Cr1 C1 C5 92.4(4) . . . . ? C4 Cr1 C1 C5 -36.3(3) . . . . ? Si1 Cr1 C1 C5 123.2(3) . . . . ? C6 Cr1 C1 Si1 0.3(2) . . . . ? C2 Cr1 C1 Si1 122.6(3) . . . . ? C7 Cr1 C1 Si1 35.4(2) . . . . ? C10 Cr1 C1 Si1 -33.9(2) . . . . ? C5 Cr1 C1 Si1 -123.2(3) . . . . ? C8 Cr1 C1 Si1 35.5(4) . . . . ? C3 Cr1 C1 Si1 159.8(3) . . . . ? C9 Cr1 C1 Si1 -30.7(4) . . . . ? C4 Cr1 C1 Si1 -159.4(3) . . . . ? C5 C1 C2 C3 -1.0(5) . . . . ? Si1 C1 C2 C3 -143.0(4) . . . . ? Cr1 C1 C2 C3 -65.1(3) . . . . ? C5 C1 C2 C11 -171.7(5) . . . . ? Si1 C1 C2 C11 46.4(6) . . . . ? Cr1 C1 C2 C11 124.2(5) . . . . ? C5 C1 C2 Cr1 64.1(3) . . . . ? Si1 C1 C2 Cr1 -77.9(3) . . . . ? C1 Cr1 C2 C3 117.2(4) . . . . ? C6 Cr1 C2 C3 178.6(3) . . . . ? C7 Cr1 C2 C3 -140.2(3) . . . . ? C10 Cr1 C2 C3 155.9(3) . . . . ? C5 Cr1 C2 C3 76.6(3) . . . . ? C8 Cr1 C2 C3 -109.8(3) . . . . ? C9 Cr1 C2 C3 -122.8(6) . . . . ? C4 Cr1 C2 C3 35.3(3) . . . . ? Si1 Cr1 C2 C3 154.1(3) . . . . ? C6 Cr1 C2 C1 61.4(3) . . . . ? C7 Cr1 C2 C1 102.7(3) . . . . ? C10 Cr1 C2 C1 38.7(4) . . . . ? C5 Cr1 C2 C1 -40.6(3) . . . . ? C8 Cr1 C2 C1 133.0(3) . . . . ? C3 Cr1 C2 C1 -117.2(4) . . . . ? C9 Cr1 C2 C1 120.0(6) . . . . ? C4 Cr1 C2 C1 -81.8(3) . . . . ? Si1 Cr1 C2 C1 36.9(2) . . . . ? C1 Cr1 C2 C11 -122.0(6) . . . . ? C6 Cr1 C2 C11 -60.6(5) . . . . ? C7 Cr1 C2 C11 -19.3(5) . . . . ? C10 Cr1 C2 C11 -83.3(5) . . . . ? C5 Cr1 C2 C11 -162.5(5) . . . . ? C8 Cr1 C2 C11 11.1(5) . . . . ? C3 Cr1 C2 C11 120.8(6) . . . . ? C9 Cr1 C2 C11 -2.0(9) . . . . ? C4 Cr1 C2 C11 156.2(5) . . . . ? Si1 Cr1 C2 C11 -85.1(4) . . . . ? C1 C2 C3 C4 0.7(5) . . . . ? C11 C2 C3 C4 172.0(4) . . . . ? Cr1 C2 C3 C4 -59.8(3) . . . . ? C1 C2 C3 C12 -177.7(4) . . . . ? C11 C2 C3 C12 -6.4(7) . . . . ? Cr1 C2 C3 C12 121.8(5) . . . . ? C1 C2 C3 Cr1 60.6(3) . . . . ? C11 C2 C3 Cr1 -128.2(5) . . . . ? C1 Cr1 C3 C4 80.8(3) . . . . ? C6 Cr1 C3 C4 117.9(4) . . . . ? C2 Cr1 C3 C4 120.2(4) . . . . ? C7 Cr1 C3 C4 172.9(3) . . . . ? C10 Cr1 C3 C4 17.9(8) . . . . ? C5 Cr1 C3 C4 35.4(3) . . . . ? C8 Cr1 C3 C4 -138.2(3) . . . . ? C9 Cr1 C3 C4 -87.8(4) . . . . ? Si1 Cr1 C3 C4 94.8(3) . . . . ? C1 Cr1 C3 C2 -39.4(3) . . . . ? C6 Cr1 C3 C2 -2.3(5) . . . . ? C7 Cr1 C3 C2 52.6(4) . . . . ? C10 Cr1 C3 C2 -102.3(7) . . . . ? C5 Cr1 C3 C2 -84.8(3) . . . . ? C8 Cr1 C3 C2 101.6(3) . . . . ? C9 Cr1 C3 C2 152.0(4) . . . . ? C4 Cr1 C3 C2 -120.2(4) . . . . ? Si1 Cr1 C3 C2 -25.4(3) . . . . ? C1 Cr1 C3 C12 -155.5(5) . . . . ? C6 Cr1 C3 C12 -118.4(5) . . . . ? C2 Cr1 C3 C12 -116.1(6) . . . . ? C7 Cr1 C3 C12 -63.4(5) . . . . ? C10 Cr1 C3 C12 141.6(7) . . . . ? C5 Cr1 C3 C12 159.2(5) . . . . ? C8 Cr1 C3 C12 -14.5(6) . . . . ? C9 Cr1 C3 C12 35.9(7) . . . . ? C4 Cr1 C3 C12 123.7(6) . . . . ? Si1 Cr1 C3 C12 -141.5(4) . . . . ? C2 C3 C4 C5 -0.1(5) . . . . ? C12 C3 C4 C5 178.3(5) . . . . ? Cr1 C3 C4 C5 -56.6(3) . . . . ? C2 C3 C4 C13 -174.1(5) . . . . ? C12 C3 C4 C13 4.2(8) . . . . ? Cr1 C3 C4 C13 129.3(5) . . . . ? C2 C3 C4 Cr1 56.5(3) . . . . ? C12 C3 C4 Cr1 -125.1(5) . . . . ? C1 Cr1 C4 C5 39.6(3) . . . . ? C6 Cr1 C4 C5 3.1(5) . . . . ? C2 Cr1 C4 C5 84.6(3) . . . . ? C7 Cr1 C4 C5 100.6(7) . . . . ? C10 Cr1 C4 C5 -53.0(4) . . . . ? C8 Cr1 C4 C5 -157.4(3) . . . . ? C3 Cr1 C4 C5 121.2(4) . . . . ? C9 Cr1 C4 C5 -103.8(3) . . . . ? Si1 Cr1 C4 C5 25.4(3) . . . . ? C1 Cr1 C4 C3 -81.7(3) . . . . ? C6 Cr1 C4 C3 -118.1(4) . . . . ? C2 Cr1 C4 C3 -36.6(3) . . . . ? C7 Cr1 C4 C3 -20.6(8) . . . . ? C10 Cr1 C4 C3 -174.2(3) . . . . ? C5 Cr1 C4 C3 -121.2(4) . . . . ? C8 Cr1 C4 C3 81.4(4) . . . . ? C9 Cr1 C4 C3 135.0(3) . . . . ? Si1 Cr1 C4 C3 -95.9(3) . . . . ? C1 Cr1 C4 C13 156.2(5) . . . . ? C6 Cr1 C4 C13 119.8(5) . . . . ? C2 Cr1 C4 C13 -158.7(5) . . . . ? C7 Cr1 C4 C13 -142.7(6) . . . . ? C10 Cr1 C4 C13 63.7(5) . . . . ? C5 Cr1 C4 C13 116.7(6) . . . . ? C8 Cr1 C4 C13 -40.7(7) . . . . ? C3 Cr1 C4 C13 -122.1(6) . . . . ? C9 Cr1 C4 C13 12.9(6) . . . . ? Si1 Cr1 C4 C13 142.0(5) . . . . ? C3 C4 C5 C1 -0.6(5) . . . . ? C13 C4 C5 C1 173.6(5) . . . . ? Cr1 C4 C5 C1 -59.6(3) . . . . ? C3 C4 C5 C14 -170.3(4) . . . . ? C13 C4 C5 C14 3.9(8) . . . . ? Cr1 C4 C5 C14 130.7(5) . . . . ? C3 C4 C5 Cr1 59.0(3) . . . . ? C13 C4 C5 Cr1 -126.8(5) . . . . ? C2 C1 C5 C4 1.0(5) . . . . ? Si1 C1 C5 C4 142.6(4) . . . . ? Cr1 C1 C5 C4 64.7(3) . . . . ? C2 C1 C5 C14 170.1(5) . . . . ? Si1 C1 C5 C14 -48.3(7) . . . . ? Cr1 C1 C5 C14 -126.2(5) . . . . ? C2 C1 C5 Cr1 -63.7(3) . . . . ? Si1 C1 C5 Cr1 78.0(3) . . . . ? C1 Cr1 C5 C4 -117.7(4) . . . . ? C6 Cr1 C5 C4 -178.1(3) . . . . ? C2 Cr1 C5 C4 -77.3(3) . . . . ? C7 Cr1 C5 C4 -153.0(3) . . . . ? C10 Cr1 C5 C4 140.4(3) . . . . ? C8 Cr1 C5 C4 124.3(7) . . . . ? C3 Cr1 C5 C4 -35.0(3) . . . . ? C9 Cr1 C5 C4 110.0(3) . . . . ? Si1 Cr1 C5 C4 -154.2(3) . . . . ? C6 Cr1 C5 C1 -60.5(3) . . . . ? C2 Cr1 C5 C1 40.3(3) . . . . ? C7 Cr1 C5 C1 -35.4(4) . . . . ? C10 Cr1 C5 C1 -101.9(3) . . . . ? C8 Cr1 C5 C1 -118.0(7) . . . . ? C3 Cr1 C5 C1 82.6(3) . . . . ? C9 Cr1 C5 C1 -132.3(3) . . . . ? C4 Cr1 C5 C1 117.7(4) . . . . ? Si1 Cr1 C5 C1 -36.5(2) . . . . ? C1 Cr1 C5 C14 120.8(6) . . . . ? C6 Cr1 C5 C14 60.3(5) . . . . ? C2 Cr1 C5 C14 161.1(5) . . . . ? C7 Cr1 C5 C14 85.4(5) . . . . ? C10 Cr1 C5 C14 18.9(5) . . . . ? C8 Cr1 C5 C14 2.7(10) . . . . ? C3 Cr1 C5 C14 -156.6(5) . . . . ? C9 Cr1 C5 C14 -11.6(5) . . . . ? C4 Cr1 C5 C14 -121.6(6) . . . . ? Si1 Cr1 C5 C14 84.3(4) . . . . ? C20 Si1 C6 C10 -52.4(5) . . . . ? C19 Si1 C6 C10 -171.3(4) . . . . ? C1 Si1 C6 C10 68.2(4) . . . . ? Cr1 Si1 C6 C10 67.8(4) . . . . ? C20 Si1 C6 C7 171.9(4) . . . . ? C19 Si1 C6 C7 53.0(5) . . . . ? C1 Si1 C6 C7 -67.5(4) . . . . ? Cr1 Si1 C6 C7 -67.9(4) . . . . ? C20 Si1 C6 Cr1 -120.3(2) . . . . ? C19 Si1 C6 Cr1 120.8(2) . . . . ? C1 Si1 C6 Cr1 0.3(2) . . . . ? C1 Cr1 C6 C10 -123.7(3) . . . . ? C2 Cr1 C6 C10 -158.7(3) . . . . ? C7 Cr1 C6 C10 114.4(4) . . . . ? C5 Cr1 C6 C10 -88.9(3) . . . . ? C8 Cr1 C6 C10 78.1(3) . . . . ? C3 Cr1 C6 C10 -157.1(3) . . . . ? C9 Cr1 C6 C10 37.4(3) . . . . ? C4 Cr1 C6 C10 -90.9(4) . . . . ? Si1 Cr1 C6 C10 -123.4(3) . . . . ? C1 Cr1 C6 C7 121.8(3) . . . . ? C2 Cr1 C6 C7 86.9(3) . . . . ? C10 Cr1 C6 C7 -114.4(4) . . . . ? C5 Cr1 C6 C7 156.6(3) . . . . ? C8 Cr1 C6 C7 -36.3(3) . . . . ? C3 Cr1 C6 C7 88.4(4) . . . . ? C9 Cr1 C6 C7 -77.0(3) . . . . ? C4 Cr1 C6 C7 154.7(3) . . . . ? Si1 Cr1 C6 C7 122.1(3) . . . . ? C1 Cr1 C6 Si1 -0.3(2) . . . . ? C2 Cr1 C6 Si1 -35.2(2) . . . . ? C7 Cr1 C6 Si1 -122.1(3) . . . . ? C10 Cr1 C6 Si1 123.4(3) . . . . ? C5 Cr1 C6 Si1 34.5(2) . . . . ? C8 Cr1 C6 Si1 -158.5(3) . . . . ? C3 Cr1 C6 Si1 -33.7(4) . . . . ? C9 Cr1 C6 Si1 160.8(3) . . . . ? C4 Cr1 C6 Si1 32.5(4) . . . . ? C10 C6 C7 C8 0.1(5) . . . . ? Si1 C6 C7 C8 141.7(4) . . . . ? Cr1 C6 C7 C8 64.1(3) . . . . ? C10 C6 C7 C15 168.6(5) . . . . ? Si1 C6 C7 C15 -49.9(7) . . . . ? Cr1 C6 C7 C15 -127.5(5) . . . . ? C10 C6 C7 Cr1 -64.0(3) . . . . ? Si1 C6 C7 Cr1 77.6(3) . . . . ? C1 Cr1 C7 C8 179.9(3) . . . . ? C6 Cr1 C7 C8 -118.4(4) . . . . ? C2 Cr1 C7 C8 138.5(3) . . . . ? C10 Cr1 C7 C8 -78.3(3) . . . . ? C5 Cr1 C7 C8 -157.0(3) . . . . ? C3 Cr1 C7 C8 108.5(3) . . . . ? C9 Cr1 C7 C8 -35.8(3) . . . . ? C4 Cr1 C7 C8 124.0(6) . . . . ? Si1 Cr1 C7 C8 -155.8(3) . . . . ? C1 Cr1 C7 C6 -61.8(3) . . . . ? C2 Cr1 C7 C6 -103.1(3) . . . . ? C10 Cr1 C7 C6 40.1(3) . . . . ? C5 Cr1 C7 C6 -38.6(4) . . . . ? C8 Cr1 C7 C6 118.4(4) . . . . ? C3 Cr1 C7 C6 -133.1(3) . . . . ? C9 Cr1 C7 C6 82.6(3) . . . . ? C4 Cr1 C7 C6 -117.6(6) . . . . ? Si1 Cr1 C7 C6 -37.5(2) . . . . ? C1 Cr1 C7 C15 60.3(5) . . . . ? C6 Cr1 C7 C15 122.1(6) . . . . ? C2 Cr1 C7 C15 19.0(5) . . . . ? C10 Cr1 C7 C15 162.2(5) . . . . ? C5 Cr1 C7 C15 83.5(5) . . . . ? C8 Cr1 C7 C15 -119.6(6) . . . . ? C3 Cr1 C7 C15 -11.1(5) . . . . ? C9 Cr1 C7 C15 -155.4(5) . . . . ? C4 Cr1 C7 C15 4.4(10) . . . . ? Si1 Cr1 C7 C15 84.6(4) . . . . ? C6 C7 C8 C9 0.7(5) . . . . ? C15 C7 C8 C9 -168.6(4) . . . . ? Cr1 C7 C8 C9 60.5(3) . . . . ? C6 C7 C8 C16 177.7(5) . . . . ? C15 C7 C8 C16 8.4(8) . . . . ? Cr1 C7 C8 C16 -122.6(5) . . . . ? C6 C7 C8 Cr1 -59.7(3) . . . . ? C15 C7 C8 Cr1 131.0(5) . . . . ? C1 Cr1 C8 C9 -119.7(4) . . . . ? C6 Cr1 C8 C9 -80.7(3) . . . . ? C2 Cr1 C8 C9 -173.6(3) . . . . ? C7 Cr1 C8 C9 -119.5(4) . . . . ? C10 Cr1 C8 C9 -36.0(3) . . . . ? C5 Cr1 C8 C9 -18.5(9) . . . . ? C3 Cr1 C8 C9 137.4(3) . . . . ? C4 Cr1 C8 C9 87.1(4) . . . . ? Si1 Cr1 C8 C9 -95.7(3) . . . . ? C1 Cr1 C8 C7 -0.2(5) . . . . ? C6 Cr1 C8 C7 38.8(3) . . . . ? C2 Cr1 C8 C7 -54.1(3) . . . . ? C10 Cr1 C8 C7 83.4(3) . . . . ? C5 Cr1 C8 C7 101.0(8) . . . . ? C3 Cr1 C8 C7 -103.1(3) . . . . ? C9 Cr1 C8 C7 119.5(4) . . . . ? C4 Cr1 C8 C7 -153.5(3) . . . . ? Si1 Cr1 C8 C7 23.8(3) . . . . ? C1 Cr1 C8 C16 117.2(5) . . . . ? C6 Cr1 C8 C16 156.3(5) . . . . ? C2 Cr1 C8 C16 63.3(5) . . . . ? C7 Cr1 C8 C16 117.5(6) . . . . ? C10 Cr1 C8 C16 -159.1(5) . . . . ? C5 Cr1 C8 C16 -141.5(7) . . . . ? C3 Cr1 C8 C16 14.3(6) . . . . ? C9 Cr1 C8 C16 -123.1(6) . . . . ? C4 Cr1 C8 C16 -36.0(7) . . . . ? Si1 Cr1 C8 C16 141.2(4) . . . . ? C7 C8 C9 C10 -1.3(6) . . . . ? C16 C8 C9 C10 -178.2(5) . . . . ? Cr1 C8 C9 C10 56.2(3) . . . . ? C7 C8 C9 C17 176.4(5) . . . . ? C16 C8 C9 C17 -0.5(8) . . . . ? Cr1 C8 C9 C17 -126.1(5) . . . . ? C7 C8 C9 Cr1 -57.5(3) . . . . ? C16 C8 C9 Cr1 125.6(5) . . . . ? C1 Cr1 C9 C8 116.3(4) . . . . ? C6 Cr1 C9 C8 81.9(3) . . . . ? C2 Cr1 C9 C8 17.6(7) . . . . ? C7 Cr1 C9 C8 36.8(3) . . . . ? C10 Cr1 C9 C8 121.3(4) . . . . ? C5 Cr1 C9 C8 174.3(3) . . . . ? C3 Cr1 C9 C8 -82.1(4) . . . . ? C4 Cr1 C9 C8 -135.8(3) . . . . ? Si1 Cr1 C9 C8 95.3(3) . . . . ? C1 Cr1 C9 C10 -4.9(5) . . . . ? C6 Cr1 C9 C10 -39.4(3) . . . . ? C2 Cr1 C9 C10 -103.6(7) . . . . ? C7 Cr1 C9 C10 -84.5(3) . . . . ? C5 Cr1 C9 C10 53.0(4) . . . . ? C8 Cr1 C9 C10 -121.3(4) . . . . ? C3 Cr1 C9 C10 156.7(3) . . . . ? C4 Cr1 C9 C10 103.0(3) . . . . ? Si1 Cr1 C9 C10 -25.9(3) . . . . ? C1 Cr1 C9 C17 -121.7(5) . . . . ? C6 Cr1 C9 C17 -156.1(5) . . . . ? C2 Cr1 C9 C17 139.7(6) . . . . ? C7 Cr1 C9 C17 158.8(5) . . . . ? C10 Cr1 C9 C17 -116.7(6) . . . . ? C5 Cr1 C9 C17 -63.7(5) . . . . ? C8 Cr1 C9 C17 122.0(6) . . . . ? C3 Cr1 C9 C17 39.9(7) . . . . ? C4 Cr1 C9 C17 -13.8(6) . . . . ? Si1 Cr1 C9 C17 -142.7(4) . . . . ? C8 C9 C10 C6 1.4(6) . . . . ? C17 C9 C10 C6 -176.3(5) . . . . ? Cr1 C9 C10 C6 60.3(3) . . . . ? C8 C9 C10 C18 172.7(5) . . . . ? C17 C9 C10 C18 -5.0(8) . . . . ? Cr1 C9 C10 C18 -128.4(5) . . . . ? C8 C9 C10 Cr1 -58.9(3) . . . . ? C17 C9 C10 Cr1 123.4(5) . . . . ? C7 C6 C10 C9 -0.9(5) . . . . ? Si1 C6 C10 C9 -141.9(4) . . . . ? Cr1 C6 C10 C9 -64.7(3) . . . . ? C7 C6 C10 C18 -171.8(5) . . . . ? Si1 C6 C10 C18 47.2(7) . . . . ? Cr1 C6 C10 C18 124.4(5) . . . . ? C7 C6 C10 Cr1 63.8(3) . . . . ? Si1 C6 C10 Cr1 -77.2(3) . . . . ? C1 Cr1 C10 C9 177.1(3) . . . . ? C6 Cr1 C10 C9 116.9(4) . . . . ? C2 Cr1 C10 C9 151.9(3) . . . . ? C7 Cr1 C10 C9 76.6(3) . . . . ? C5 Cr1 C10 C9 -141.0(3) . . . . ? C8 Cr1 C10 C9 34.7(3) . . . . ? C3 Cr1 C10 C9 -124.9(7) . . . . ? C4 Cr1 C10 C9 -111.2(3) . . . . ? Si1 Cr1 C10 C9 153.7(3) . . . . ? C1 Cr1 C10 C6 60.1(3) . . . . ? C2 Cr1 C10 C6 35.0(4) . . . . ? C7 Cr1 C10 C6 -40.3(3) . . . . ? C5 Cr1 C10 C6 102.1(3) . . . . ? C8 Cr1 C10 C6 -82.2(3) . . . . ? C3 Cr1 C10 C6 118.1(7) . . . . ? C9 Cr1 C10 C6 -116.9(4) . . . . ? C4 Cr1 C10 C6 131.8(3) . . . . ? Si1 Cr1 C10 C6 36.8(2) . . . . ? C1 Cr1 C10 C18 -61.5(5) . . . . ? C6 Cr1 C10 C18 -121.6(6) . . . . ? C2 Cr1 C10 C18 -86.7(5) . . . . ? C7 Cr1 C10 C18 -162.0(5) . . . . ? C5 Cr1 C10 C18 -19.6(5) . . . . ? C8 Cr1 C10 C18 156.2(5) . . . . ? C3 Cr1 C10 C18 -3.5(10) . . . . ? C9 Cr1 C10 C18 121.4(6) . . . . ? C4 Cr1 C10 C18 10.2(6) . . . . ? Si1 Cr1 C10 C18 -84.9(5) . . . . ? C21 Cr2 Si2 C39 88.5(3) . . . . ? C26 Cr2 Si2 C39 -90.7(3) . . . . ? C22 Cr2 Si2 C39 53.6(3) . . . . ? C27 Cr2 Si2 C39 -55.5(3) . . . . ? C30 Cr2 Si2 C39 -126.3(3) . . . . ? C25 Cr2 Si2 C39 124.0(3) . . . . ? C24 Cr2 Si2 C39 107.9(3) . . . . ? C23 Cr2 Si2 C39 70.0(3) . . . . ? C28 Cr2 Si2 C39 -72.3(3) . . . . ? C29 Cr2 Si2 C39 -110.2(3) . . . . ? C21 Cr2 Si2 C40 -92.4(3) . . . . ? C26 Cr2 Si2 C40 88.3(3) . . . . ? C22 Cr2 Si2 C40 -127.3(3) . . . . ? C27 Cr2 Si2 C40 123.5(3) . . . . ? C30 Cr2 Si2 C40 52.7(3) . . . . ? C25 Cr2 Si2 C40 -57.0(3) . . . . ? C24 Cr2 Si2 C40 -73.1(3) . . . . ? C23 Cr2 Si2 C40 -111.0(3) . . . . ? C28 Cr2 Si2 C40 106.8(3) . . . . ? C29 Cr2 Si2 C40 68.8(3) . . . . ? C21 Cr2 Si2 C26 179.3(3) . . . . ? C22 Cr2 Si2 C26 144.4(3) . . . . ? C27 Cr2 Si2 C26 35.2(3) . . . . ? C30 Cr2 Si2 C26 -35.6(3) . . . . ? C25 Cr2 Si2 C26 -145.3(3) . . . . ? C24 Cr2 Si2 C26 -161.4(3) . . . . ? C23 Cr2 Si2 C26 160.7(3) . . . . ? C28 Cr2 Si2 C26 18.5(3) . . . . ? C29 Cr2 Si2 C26 -19.5(3) . . . . ? C26 Cr2 Si2 C21 -179.3(3) . . . . ? C22 Cr2 Si2 C21 -34.9(2) . . . . ? C27 Cr2 Si2 C21 -144.0(3) . . . . ? C30 Cr2 Si2 C21 145.1(3) . . . . ? C25 Cr2 Si2 C21 35.4(2) . . . . ? C24 Cr2 Si2 C21 19.4(3) . . . . ? C23 Cr2 Si2 C21 -18.6(3) . . . . ? C28 Cr2 Si2 C21 -160.8(3) . . . . ? C29 Cr2 Si2 C21 161.2(2) . . . . ? C39 Si2 C21 C22 -54.1(5) . . . . ? C40 Si2 C21 C22 -172.6(4) . . . . ? C26 Si2 C21 C22 67.6(4) . . . . ? Cr2 Si2 C21 C22 68.1(4) . . . . ? C39 Si2 C21 C25 169.7(4) . . . . ? C40 Si2 C21 C25 51.1(5) . . . . ? C26 Si2 C21 C25 -68.7(4) . . . . ? Cr2 Si2 C21 C25 -68.2(3) . . . . ? C39 Si2 C21 Cr2 -122.2(2) . . . . ? C40 Si2 C21 Cr2 119.3(2) . . . . ? C26 Si2 C21 Cr2 -0.5(2) . . . . ? C26 Cr2 C21 C22 -122.9(3) . . . . ? C27 Cr2 C21 C22 -87.9(3) . . . . ? C30 Cr2 C21 C22 -157.6(3) . . . . ? C25 Cr2 C21 C22 113.7(4) . . . . ? C24 Cr2 C21 C22 77.0(3) . . . . ? C23 Cr2 C21 C22 36.9(3) . . . . ? C28 Cr2 C21 C22 -90.4(4) . . . . ? C29 Cr2 C21 C22 -155.6(3) . . . . ? Si2 Cr2 C21 C22 -123.4(4) . . . . ? C26 Cr2 C21 C25 123.4(3) . . . . ? C22 Cr2 C21 C25 -113.7(4) . . . . ? C27 Cr2 C21 C25 158.4(3) . . . . ? C30 Cr2 C21 C25 88.7(3) . . . . ? C24 Cr2 C21 C25 -36.7(3) . . . . ? C23 Cr2 C21 C25 -76.8(3) . . . . ? C28 Cr2 C21 C25 155.9(3) . . . . ? C29 Cr2 C21 C25 90.6(4) . . . . ? Si2 Cr2 C21 C25 122.9(3) . . . . ? C26 Cr2 C21 Si2 0.5(2) . . . . ? C22 Cr2 C21 Si2 123.4(4) . . . . ? C27 Cr2 C21 Si2 35.5(2) . . . . ? C30 Cr2 C21 Si2 -34.2(2) . . . . ? C25 Cr2 C21 Si2 -122.9(3) . . . . ? C24 Cr2 C21 Si2 -159.6(3) . . . . ? C23 Cr2 C21 Si2 160.3(3) . . . . ? C28 Cr2 C21 Si2 33.0(4) . . . . ? C29 Cr2 C21 Si2 -32.2(4) . . . . ? C25 C21 C22 C23 -0.4(5) . . . . ? Si2 C21 C22 C23 -142.5(4) . . . . ? Cr2 C21 C22 C23 -64.6(3) . . . . ? C25 C21 C22 C31 -171.0(4) . . . . ? Si2 C21 C22 C31 47.0(6) . . . . ? Cr2 C21 C22 C31 124.8(5) . . . . ? C25 C21 C22 Cr2 64.2(3) . . . . ? Si2 C21 C22 Cr2 -77.8(3) . . . . ? C21 Cr2 C22 C23 117.5(4) . . . . ? C26 Cr2 C22 C23 178.1(3) . . . . ? C27 Cr2 C22 C23 -140.1(3) . . . . ? C30 Cr2 C22 C23 154.1(3) . . . . ? C25 Cr2 C22 C23 76.6(3) . . . . ? C24 Cr2 C22 C23 34.5(3) . . . . ? C28 Cr2 C22 C23 -110.4(3) . . . . ? C29 Cr2 C22 C23 -124.9(7) . . . . ? Si2 Cr2 C22 C23 154.1(3) . . . . ? C26 Cr2 C22 C21 60.6(3) . . . . ? C27 Cr2 C22 C21 102.4(3) . . . . ? C30 Cr2 C22 C21 36.6(4) . . . . ? C25 Cr2 C22 C21 -40.9(3) . . . . ? C24 Cr2 C22 C21 -83.0(3) . . . . ? C23 Cr2 C22 C21 -117.5(4) . . . . ? C28 Cr2 C22 C21 132.1(3) . . . . ? C29 Cr2 C22 C21 117.6(7) . . . . ? Si2 Cr2 C22 C21 36.6(3) . . . . ? C21 Cr2 C22 C31 -120.2(6) . . . . ? C26 Cr2 C22 C31 -59.6(5) . . . . ? C27 Cr2 C22 C31 -17.8(5) . . . . ? C30 Cr2 C22 C31 -83.6(5) . . . . ? C25 Cr2 C22 C31 -161.1(5) . . . . ? C24 Cr2 C22 C31 156.8(5) . . . . ? C23 Cr2 C22 C31 122.3(6) . . . . ? C28 Cr2 C22 C31 11.9(6) . . . . ? C29 Cr2 C22 C31 -2.6(10) . . . . ? Si2 Cr2 C22 C31 -83.7(5) . . . . ? C21 C22 C23 C24 0.8(5) . . . . ? C31 C22 C23 C24 171.7(4) . . . . ? Cr2 C22 C23 C24 -59.2(3) . . . . ? C21 C22 C23 C32 -176.9(4) . . . . ? C31 C22 C23 C32 -6.0(7) . . . . ? Cr2 C22 C23 C32 123.2(5) . . . . ? C21 C22 C23 Cr2 60.0(3) . . . . ? C31 C22 C23 Cr2 -129.2(5) . . . . ? C21 Cr2 C23 C24 82.0(3) . . . . ? C26 Cr2 C23 C24 118.1(4) . . . . ? C22 Cr2 C23 C24 121.2(4) . . . . ? C27 Cr2 C23 C24 174.3(3) . . . . ? C30 Cr2 C23 C24 19.9(8) . . . . ? C25 Cr2 C23 C24 36.5(3) . . . . ? C28 Cr2 C23 C24 -135.9(3) . . . . ? C29 Cr2 C23 C24 -84.0(4) . . . . ? Si2 Cr2 C23 C24 95.7(3) . . . . ? C21 Cr2 C23 C22 -39.3(3) . . . . ? C26 Cr2 C23 C22 -3.1(5) . . . . ? C27 Cr2 C23 C22 53.1(4) . . . . ? C30 Cr2 C23 C22 -101.3(7) . . . . ? C25 Cr2 C23 C22 -84.7(3) . . . . ? C24 Cr2 C23 C22 -121.2(4) . . . . ? C28 Cr2 C23 C22 102.9(3) . . . . ? C29 Cr2 C23 C22 154.8(3) . . . . ? Si2 Cr2 C23 C22 -25.6(3) . . . . ? C21 Cr2 C23 C32 -156.1(6) . . . . ? C26 Cr2 C23 C32 -119.9(5) . . . . ? C22 Cr2 C23 C32 -116.8(6) . . . . ? C27 Cr2 C23 C32 -63.7(6) . . . . ? C30 Cr2 C23 C32 141.9(6) . . . . ? C25 Cr2 C23 C32 158.5(6) . . . . ? C24 Cr2 C23 C32 122.0(6) . . . . ? C28 Cr2 C23 C32 -13.9(6) . . . . ? C29 Cr2 C23 C32 38.0(7) . . . . ? Si2 Cr2 C23 C32 -142.4(5) . . . . ? C22 C23 C24 C25 -0.9(5) . . . . ? C32 C23 C24 C25 176.7(5) . . . . ? Cr2 C23 C24 C25 -57.2(3) . . . . ? C22 C23 C24 C33 -178.4(5) . . . . ? C32 C23 C24 C33 -0.8(8) . . . . ? Cr2 C23 C24 C33 125.3(5) . . . . ? C22 C23 C24 Cr2 56.3(3) . . . . ? C32 C23 C24 Cr2 -126.1(5) . . . . ? C21 Cr2 C24 C23 -81.0(3) . . . . ? C26 Cr2 C24 C23 -117.1(4) . . . . ? C22 Cr2 C24 C23 -36.1(3) . . . . ? C27 Cr2 C24 C23 -16.4(8) . . . . ? C30 Cr2 C24 C23 -173.2(3) . . . . ? C25 Cr2 C24 C23 -120.4(4) . . . . ? C28 Cr2 C24 C23 85.1(4) . . . . ? C29 Cr2 C24 C23 136.7(3) . . . . ? Si2 Cr2 C24 C23 -95.2(3) . . . . ? C21 Cr2 C24 C25 39.4(3) . . . . ? C26 Cr2 C24 C25 3.3(5) . . . . ? C22 Cr2 C24 C25 84.4(3) . . . . ? C27 Cr2 C24 C25 104.0(7) . . . . ? C30 Cr2 C24 C25 -52.8(4) . . . . ? C23 Cr2 C24 C25 120.4(4) . . . . ? C28 Cr2 C24 C25 -154.5(3) . . . . ? C29 Cr2 C24 C25 -102.9(3) . . . . ? Si2 Cr2 C24 C25 25.2(3) . . . . ? C21 Cr2 C24 C33 156.0(5) . . . . ? C26 Cr2 C24 C33 119.9(5) . . . . ? C22 Cr2 C24 C33 -159.0(5) . . . . ? C27 Cr2 C24 C33 -139.3(7) . . . . ? C30 Cr2 C24 C33 63.9(5) . . . . ? C25 Cr2 C24 C33 116.6(6) . . . . ? C23 Cr2 C24 C33 -123.0(6) . . . . ? C28 Cr2 C24 C33 -37.9(7) . . . . ? C29 Cr2 C24 C33 13.7(6) . . . . ? Si2 Cr2 C24 C33 141.8(5) . . . . ? C23 C24 C25 C21 0.6(5) . . . . ? C33 C24 C25 C21 178.2(4) . . . . ? Cr2 C24 C25 C21 -59.5(3) . . . . ? C23 C24 C25 C34 -169.2(4) . . . . ? C33 C24 C25 C34 8.3(7) . . . . ? Cr2 C24 C25 C34 130.6(4) . . . . ? C23 C24 C25 Cr2 60.2(3) . . . . ? C33 C24 C25 Cr2 -122.3(5) . . . . ? C22 C21 C25 C24 -0.1(5) . . . . ? Si2 C21 C25 C24 142.2(4) . . . . ? Cr2 C21 C25 C24 64.1(3) . . . . ? C22 C21 C25 C34 169.1(4) . . . . ? Si2 C21 C25 C34 -48.6(6) . . . . ? Cr2 C21 C25 C34 -126.7(5) . . . . ? C22 C21 C25 Cr2 -64.2(3) . . . . ? Si2 C21 C25 Cr2 78.0(3) . . . . ? C21 Cr2 C25 C24 -117.6(4) . . . . ? C26 Cr2 C25 C24 -178.0(3) . . . . ? C22 Cr2 C25 C24 -77.1(3) . . . . ? C27 Cr2 C25 C24 -153.6(3) . . . . ? C30 Cr2 C25 C24 140.5(3) . . . . ? C23 Cr2 C25 C24 -34.9(3) . . . . ? C28 Cr2 C25 C24 123.4(7) . . . . ? C29 Cr2 C25 C24 110.2(3) . . . . ? Si2 Cr2 C25 C24 -154.5(3) . . . . ? C26 Cr2 C25 C21 -60.4(3) . . . . ? C22 Cr2 C25 C21 40.5(3) . . . . ? C27 Cr2 C25 C21 -35.9(4) . . . . ? C30 Cr2 C25 C21 -101.8(3) . . . . ? C24 Cr2 C25 C21 117.6(4) . . . . ? C23 Cr2 C25 C21 82.7(3) . . . . ? C28 Cr2 C25 C21 -118.9(7) . . . . ? C29 Cr2 C25 C21 -132.2(3) . . . . ? Si2 Cr2 C25 C21 -36.8(2) . . . . ? C21 Cr2 C25 C34 121.4(6) . . . . ? C26 Cr2 C25 C34 61.1(5) . . . . ? C22 Cr2 C25 C34 162.0(5) . . . . ? C27 Cr2 C25 C34 85.5(6) . . . . ? C30 Cr2 C25 C34 19.6(5) . . . . ? C24 Cr2 C25 C34 -120.9(6) . . . . ? C23 Cr2 C25 C34 -155.9(5) . . . . ? C28 Cr2 C25 C34 2.5(10) . . . . ? C29 Cr2 C25 C34 -10.8(6) . . . . ? Si2 Cr2 C25 C34 84.6(5) . . . . ? C39 Si2 C26 C30 -170.7(4) . . . . ? C40 Si2 C26 C30 -53.4(5) . . . . ? C21 Si2 C26 C30 68.6(4) . . . . ? Cr2 Si2 C26 C30 68.1(4) . . . . ? C39 Si2 C26 C27 53.6(5) . . . . ? C40 Si2 C26 C27 170.9(4) . . . . ? C21 Si2 C26 C27 -67.1(4) . . . . ? Cr2 Si2 C26 C27 -67.6(4) . . . . ? C39 Si2 C26 Cr2 121.2(3) . . . . ? C40 Si2 C26 Cr2 -121.5(2) . . . . ? C21 Si2 C26 Cr2 0.5(2) . . . . ? C21 Cr2 C26 C30 -122.8(3) . . . . ? C22 Cr2 C26 C30 -157.4(3) . . . . ? C27 Cr2 C26 C30 114.5(4) . . . . ? C25 Cr2 C26 C30 -87.9(3) . . . . ? C24 Cr2 C26 C30 -90.1(4) . . . . ? C23 Cr2 C26 C30 -155.4(3) . . . . ? C28 Cr2 C26 C30 77.3(3) . . . . ? C29 Cr2 C26 C30 37.0(3) . . . . ? Si2 Cr2 C26 C30 -122.3(3) . . . . ? C21 Cr2 C26 C27 122.8(3) . . . . ? C22 Cr2 C26 C27 88.1(3) . . . . ? C30 Cr2 C26 C27 -114.5(4) . . . . ? C25 Cr2 C26 C27 157.6(3) . . . . ? C24 Cr2 C26 C27 155.5(3) . . . . ? C23 Cr2 C26 C27 90.1(4) . . . . ? C28 Cr2 C26 C27 -37.1(3) . . . . ? C29 Cr2 C26 C27 -77.4(3) . . . . ? Si2 Cr2 C26 C27 123.3(4) . . . . ? C21 Cr2 C26 Si2 -0.5(2) . . . . ? C22 Cr2 C26 Si2 -35.2(2) . . . . ? C27 Cr2 C26 Si2 -123.3(4) . . . . ? C30 Cr2 C26 Si2 122.3(3) . . . . ? C25 Cr2 C26 Si2 34.3(2) . . . . ? C24 Cr2 C26 Si2 32.2(4) . . . . ? C23 Cr2 C26 Si2 -33.2(4) . . . . ? C28 Cr2 C26 Si2 -160.4(3) . . . . ? C29 Cr2 C26 Si2 159.3(3) . . . . ? C30 C26 C27 C28 1.5(5) . . . . ? Si2 C26 C27 C28 142.7(4) . . . . ? Cr2 C26 C27 C28 65.0(3) . . . . ? C30 C26 C27 C35 170.7(5) . . . . ? Si2 C26 C27 C35 -48.1(7) . . . . ? Cr2 C26 C27 C35 -125.7(5) . . . . ? C30 C26 C27 Cr2 -63.6(3) . . . . ? Si2 C26 C27 Cr2 77.6(3) . . . . ? C21 Cr2 C27 C28 -177.7(3) . . . . ? C26 Cr2 C27 C28 -116.8(4) . . . . ? C22 Cr2 C27 C28 140.9(3) . . . . ? C30 Cr2 C27 C28 -76.7(3) . . . . ? C25 Cr2 C27 C28 -154.0(3) . . . . ? C24 Cr2 C27 C28 123.0(7) . . . . ? C23 Cr2 C27 C28 110.7(3) . . . . ? C29 Cr2 C27 C28 -34.6(3) . . . . ? Si2 Cr2 C27 C28 -153.2(3) . . . . ? C21 Cr2 C27 C26 -60.8(3) . . . . ? C22 Cr2 C27 C26 -102.3(3) . . . . ? C30 Cr2 C27 C26 40.2(3) . . . . ? C25 Cr2 C27 C26 -37.2(4) . . . . ? C24 Cr2 C27 C26 -120.2(7) . . . . ? C23 Cr2 C27 C26 -132.5(3) . . . . ? C28 Cr2 C27 C26 116.8(4) . . . . ? C29 Cr2 C27 C26 82.3(3) . . . . ? Si2 Cr2 C27 C26 -36.3(2) . . . . ? C21 Cr2 C27 C35 60.8(5) . . . . ? C26 Cr2 C27 C35 121.6(6) . . . . ? C22 Cr2 C27 C35 19.4(5) . . . . ? C30 Cr2 C27 C35 161.8(5) . . . . ? C25 Cr2 C27 C35 84.4(6) . . . . ? C24 Cr2 C27 C35 1.4(10) . . . . ? C23 Cr2 C27 C35 -10.8(6) . . . . ? C28 Cr2 C27 C35 -121.6(6) . . . . ? C29 Cr2 C27 C35 -156.1(5) . . . . ? Si2 Cr2 C27 C35 85.3(5) . . . . ? C26 C27 C28 C29 -0.8(5) . . . . ? C35 C27 C28 C29 -170.7(4) . . . . ? Cr2 C27 C28 C29 59.6(3) . . . . ? C26 C27 C28 C36 176.4(4) . . . . ? C35 C27 C28 C36 6.6(7) . . . . ? Cr2 C27 C28 C36 -123.2(5) . . . . ? C26 C27 C28 Cr2 -60.4(3) . . . . ? C35 C27 C28 Cr2 129.8(5) . . . . ? C21 Cr2 C28 C29 -117.4(4) . . . . ? C26 Cr2 C28 C29 -81.4(3) . . . . ? C22 Cr2 C28 C29 -173.4(3) . . . . ? C27 Cr2 C28 C29 -121.3(4) . . . . ? C30 Cr2 C28 C29 -36.4(3) . . . . ? C25 Cr2 C28 C29 -17.6(8) . . . . ? C24 Cr2 C28 C29 84.8(4) . . . . ? C23 Cr2 C28 C29 136.4(3) . . . . ? Si2 Cr2 C28 C29 -94.9(3) . . . . ? C21 Cr2 C28 C27 3.9(5) . . . . ? C26 Cr2 C28 C27 39.9(3) . . . . ? C22 Cr2 C28 C27 -52.1(4) . . . . ? C30 Cr2 C28 C27 84.9(3) . . . . ? C25 Cr2 C28 C27 103.7(7) . . . . ? C24 Cr2 C28 C27 -153.9(4) . . . . ? C23 Cr2 C28 C27 -102.2(3) . . . . ? C29 Cr2 C28 C27 121.3(4) . . . . ? Si2 Cr2 C28 C27 26.4(3) . . . . ? C21 Cr2 C28 C36 119.6(5) . . . . ? C26 Cr2 C28 C36 155.6(5) . . . . ? C22 Cr2 C28 C36 63.6(5) . . . . ? C27 Cr2 C28 C36 115.7(6) . . . . ? C30 Cr2 C28 C36 -159.3(5) . . . . ? C25 Cr2 C28 C36 -140.6(6) . . . . ? C24 Cr2 C28 C36 -38.2(7) . . . . ? C23 Cr2 C28 C36 13.5(6) . . . . ? C29 Cr2 C28 C36 -123.0(6) . . . . ? Si2 Cr2 C28 C36 142.1(4) . . . . ? C27 C28 C29 C30 -0.2(5) . . . . ? C36 C28 C29 C30 -177.4(5) . . . . ? Cr2 C28 C29 C30 56.3(3) . . . . ? C27 C28 C29 C37 176.8(5) . . . . ? C36 C28 C29 C37 -0.4(8) . . . . ? Cr2 C28 C29 C37 -126.8(5) . . . . ? C27 C28 C29 Cr2 -56.5(3) . . . . ? C36 C28 C29 Cr2 126.4(5) . . . . ? C21 Cr2 C29 C28 117.6(4) . . . . ? C26 Cr2 C29 C28 81.3(3) . . . . ? C22 Cr2 C29 C28 19.3(8) . . . . ? C27 Cr2 C29 C28 35.9(3) . . . . ? C30 Cr2 C29 C28 120.6(4) . . . . ? C25 Cr2 C29 C28 174.0(3) . . . . ? C24 Cr2 C29 C28 -136.1(3) . . . . ? C23 Cr2 C29 C28 -84.8(5) . . . . ? Si2 Cr2 C29 C28 95.6(3) . . . . ? C21 Cr2 C29 C30 -3.1(5) . . . . ? C26 Cr2 C29 C30 -39.3(3) . . . . ? C22 Cr2 C29 C30 -101.3(7) . . . . ? C27 Cr2 C29 C30 -84.7(3) . . . . ? C25 Cr2 C29 C30 53.4(4) . . . . ? C24 Cr2 C29 C30 103.3(3) . . . . ? C23 Cr2 C29 C30 154.6(4) . . . . ? C28 Cr2 C29 C30 -120.6(4) . . . . ? Si2 Cr2 C29 C30 -25.1(3) . . . . ? C21 Cr2 C29 C37 -118.9(5) . . . . ? C26 Cr2 C29 C37 -155.1(5) . . . . ? C22 Cr2 C29 C37 142.8(6) . . . . ? C27 Cr2 C29 C37 159.5(5) . . . . ? C30 Cr2 C29 C37 -115.8(6) . . . . ? C25 Cr2 C29 C37 -62.5(5) . . . . ? C24 Cr2 C29 C37 -12.5(6) . . . . ? C23 Cr2 C29 C37 38.8(7) . . . . ? C28 Cr2 C29 C37 123.5(6) . . . . ? Si2 Cr2 C29 C37 -140.9(4) . . . . ? C28 C29 C30 C26 1.1(5) . . . . ? C37 C29 C30 C26 -176.0(4) . . . . ? Cr2 C29 C30 C26 60.4(3) . . . . ? C28 C29 C30 C38 171.2(5) . . . . ? C37 C29 C30 C38 -5.9(7) . . . . ? Cr2 C29 C30 C38 -129.6(5) . . . . ? C28 C29 C30 Cr2 -59.3(3) . . . . ? C37 C29 C30 Cr2 123.7(5) . . . . ? C27 C26 C30 C29 -1.6(5) . . . . ? Si2 C26 C30 C29 -143.2(4) . . . . ? Cr2 C26 C30 C29 -65.0(3) . . . . ? C27 C26 C30 C38 -171.1(5) . . . . ? Si2 C26 C30 C38 47.3(6) . . . . ? Cr2 C26 C30 C38 125.5(5) . . . . ? C27 C26 C30 Cr2 63.4(3) . . . . ? Si2 C26 C30 Cr2 -78.2(3) . . . . ? C21 Cr2 C30 C29 178.1(3) . . . . ? C26 Cr2 C30 C29 117.4(4) . . . . ? C22 Cr2 C30 C29 154.3(3) . . . . ? C27 Cr2 C30 C29 76.9(3) . . . . ? C25 Cr2 C30 C29 -140.0(3) . . . . ? C24 Cr2 C30 C29 -110.0(3) . . . . ? C23 Cr2 C30 C29 -124.9(7) . . . . ? C28 Cr2 C30 C29 34.9(3) . . . . ? Si2 Cr2 C30 C29 154.4(3) . . . . ? C21 Cr2 C30 C26 60.8(3) . . . . ? C22 Cr2 C30 C26 36.9(4) . . . . ? C27 Cr2 C30 C26 -40.5(3) . . . . ? C25 Cr2 C30 C26 102.6(3) . . . . ? C24 Cr2 C30 C26 132.7(3) . . . . ? C23 Cr2 C30 C26 117.7(7) . . . . ? C28 Cr2 C30 C26 -82.5(3) . . . . ? C29 Cr2 C30 C26 -117.4(4) . . . . ? Si2 Cr2 C30 C26 37.0(2) . . . . ? C21 Cr2 C30 C38 -60.5(5) . . . . ? C26 Cr2 C30 C38 -121.3(6) . . . . ? C22 Cr2 C30 C38 -84.3(6) . . . . ? C27 Cr2 C30 C38 -161.8(5) . . . . ? C25 Cr2 C30 C38 -18.7(5) . . . . ? C24 Cr2 C30 C38 11.4(6) . . . . ? C23 Cr2 C30 C38 -3.6(10) . . . . ? C28 Cr2 C30 C38 156.2(5) . . . . ? C29 Cr2 C30 C38 121.4(6) . . . . ? Si2 Cr2 C30 C38 -84.3(5) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 24.96 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.814 _refine_diff_density_min -0.569 _refine_diff_density_rms 0.099 #===END data_complex12 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ; ? ; _chemical_melting_point ? _chemical_formula_moiety 'C29 H39 Cr N Si' _chemical_formula_sum 'C29 H39 Cr N Si' _chemical_formula_weight 481.70 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cr' 'Cr' 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M P2(1)2(1)2(1) _symmetry_space_group_name_Hall 'P 2ac 2ab' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' _cell_length_a 10.002(2) _cell_length_b 12.855(3) _cell_length_c 19.902(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2558.9(9) _cell_formula_units_Z 4 _cell_measurement_temperature 173 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 11 _cell_measurement_theta_max 14 _exptl_crystal_description cubes _exptl_crystal_colour black _exptl_crystal_size_max 0.4 _exptl_crystal_size_mid 0.4 _exptl_crystal_size_min 0.4 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.250 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1032 _exptl_absorpt_coefficient_mu 0.511 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 173 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method '\Go/2\GT scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 60 _diffrn_standards_interval_time 60 _diffrn_standards_decay_% 2.2 _diffrn_reflns_number 4046 _diffrn_reflns_av_R_equivalents 0.0205 _diffrn_reflns_av_sigmaI/netI 0.0387 _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.05 _diffrn_reflns_theta_max 23.00 _reflns_number_total 3522 _reflns_number_gt 3137 _reflns_threshold_expression >2sigma(I) _computing_data_collection ENRAF _computing_cell_refinement ENRAF _computing_data_reduction MolEN _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; The large remaining residual shift is due to the small value of the Flack-x parameter of 0.00001. The value shift/su_max stayed constant over at least 20 least-square cycles. Compared for: Platon checking message: Problem #1: SHELXL97-2 does not allow negative values of the Flack parameter when determinied using the BASF/TWIN instructions. Negative values are set to zero. Refinement may not converge completely. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0341P)^2^+2.1673P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.00(2) _chemical_absolute_configuration ad _refine_ls_number_reflns 3522 _refine_ls_number_parameters 302 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0445 _refine_ls_R_factor_gt 0.0319 _refine_ls_wR_factor_ref 0.0767 _refine_ls_wR_factor_gt 0.0716 _refine_ls_goodness_of_fit_ref 0.981 _refine_ls_restrained_S_all 0.981 _refine_ls_shift/su_max 0.602 _refine_ls_shift/su_mean 0.002 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Cr1 Cr 0.23379(5) 0.14004(4) 0.16520(2) 0.01630(14) Uani 1 1 d . . . Si1 Si 0.24618(10) 0.09268(7) 0.01745(4) 0.0205(2) Uani 1 1 d . . . N1 N 0.1938(3) 0.1789(2) 0.31563(13) 0.0231(7) Uani 1 1 d . . . C1 C 0.3425(3) 0.0471(3) 0.09305(17) 0.0186(8) Uani 1 1 d . . . C2 C 0.4357(3) 0.1135(3) 0.12799(18) 0.0209(8) Uani 1 1 d . . . C3 C 0.4351(3) 0.0856(3) 0.19697(18) 0.0213(8) Uani 1 1 d . . . C4 C 0.3390(3) 0.0032(3) 0.20574(17) 0.0204(8) Uani 1 1 d . . . C5 C 0.2833(3) -0.0208(2) 0.14301(16) 0.0183(8) Uani 1 1 d . . . C6 C 0.1400(3) 0.1792(3) 0.07108(16) 0.0177(8) Uani 1 1 d . . . C7 C 0.1888(3) 0.2742(3) 0.10244(17) 0.0203(8) Uani 1 1 d . . . C8 C 0.1188(3) 0.2877(3) 0.16362(18) 0.0218(8) Uani 1 1 d . . . C9 C 0.0277(3) 0.2035(2) 0.17181(17) 0.0201(7) Uani 1 1 d . . . C10 C 0.0406(3) 0.1363(3) 0.11633(16) 0.0190(8) Uani 1 1 d . . . C11 C 0.5389(4) 0.1858(3) 0.09846(19) 0.0295(9) Uani 1 1 d . . . H11A H 0.6247 0.1523 0.0986 0.080 Uiso 1 1 calc R . . H11B H 0.5433 0.2483 0.1248 0.080 Uiso 1 1 calc R . . H11C H 0.5145 0.2030 0.0531 0.080 Uiso 1 1 calc R . . C12 C 0.5287(3) 0.1245(3) 0.25020(19) 0.0324(9) Uani 1 1 d . . . H12A H 0.6077 0.0821 0.2508 0.080 Uiso 1 1 calc R . . H12B H 0.4855 0.1211 0.2932 0.080 Uiso 1 1 calc R . . H12C H 0.5529 0.1953 0.2407 0.080 Uiso 1 1 calc R . . C13 C 0.3163(4) -0.0562(3) 0.27040(17) 0.0299(9) Uani 1 1 d . . . H13A H 0.3727 -0.1166 0.2712 0.080 Uiso 1 1 calc R . . H13B H 0.2244 -0.0772 0.2731 0.080 Uiso 1 1 calc R . . H13C H 0.3375 -0.0123 0.3080 0.080 Uiso 1 1 calc R . . C14 C 0.1983(4) -0.1171(3) 0.13145(17) 0.0280(9) Uani 1 1 d . . . H14A H 0.2515 -0.1782 0.1389 0.080 Uiso 1 1 calc R . . H14B H 0.1657 -0.1172 0.0861 0.080 Uiso 1 1 calc R . . H14C H 0.1241 -0.1168 0.1620 0.080 Uiso 1 1 calc R . . C15 C 0.2764(4) 0.3562(3) 0.07175(17) 0.0304(8) Uani 1 1 d . . . H15A H 0.2219 0.4055 0.0481 0.080 Uiso 1 1 calc R . . H15B H 0.3379 0.3243 0.0410 0.080 Uiso 1 1 calc R . . H15C H 0.3253 0.3912 0.1065 0.080 Uiso 1 1 calc R . . C16 C 0.1238(4) 0.3829(3) 0.20749(18) 0.0298(9) Uani 1 1 d . . . H16A H 0.0550 0.4306 0.1940 0.080 Uiso 1 1 calc R . . H16B H 0.2096 0.4157 0.2030 0.080 Uiso 1 1 calc R . . H16C H 0.1099 0.3631 0.2535 0.080 Uiso 1 1 calc R . . C17 C -0.0753(3) 0.1934(3) 0.22607(17) 0.0272(9) Uani 1 1 d . . . H17A H -0.1596 0.2189 0.2099 0.080 Uiso 1 1 calc R . . H17B H -0.0481 0.2334 0.2645 0.080 Uiso 1 1 calc R . . H17C H -0.0842 0.1217 0.2386 0.080 Uiso 1 1 calc R . . C18 C -0.0561(3) 0.0488(3) 0.10309(18) 0.0253(9) Uani 1 1 d . . . H18A H -0.1346 0.0758 0.0814 0.080 Uiso 1 1 calc R . . H18B H -0.0809 0.0168 0.1449 0.080 Uiso 1 1 calc R . . H18C H -0.0146 -0.0020 0.0745 0.080 Uiso 1 1 calc R . . C19 C 0.1498(4) -0.0069(3) -0.03109(18) 0.0294(9) Uani 1 1 d . . . H19A H 0.2099 -0.0459 -0.0590 0.080 Uiso 1 1 calc R . . H19B H 0.0846 0.0273 -0.0588 0.080 Uiso 1 1 calc R . . H19C H 0.1054 -0.0530 -0.0004 0.080 Uiso 1 1 calc R . . C20 C 0.3459(4) 0.1601(3) -0.04908(17) 0.0312(9) Uani 1 1 d . . . H20A H 0.3875 0.2208 -0.0304 0.080 Uiso 1 1 calc R . . H20B H 0.2879 0.1802 -0.0853 0.080 Uiso 1 1 calc R . . H20C H 0.4135 0.1138 -0.0658 0.080 Uiso 1 1 calc R . . C21 C 0.2181(3) 0.1678(2) 0.25740(17) 0.0212(8) Uani 1 1 d . . . C22 C 0.1952(3) 0.2350(3) 0.37596(16) 0.0198(8) Uani 1 1 d . . . C23 C 0.2844(3) 0.3171(3) 0.38685(17) 0.0272(9) Uani 1 1 d . . . C24 C 0.2769(4) 0.3696(3) 0.44782(17) 0.0306(8) Uani 1 1 d . . . H24A H 0.3358 0.4272 0.4561 0.080 Uiso 1 1 d R . . C25 C 0.1853(4) 0.3404(3) 0.49667(19) 0.0373(10) Uani 1 1 d . . . H25A H 0.1817 0.3778 0.5384 0.080 Uiso 1 1 d R . . C26 C 0.0988(4) 0.2587(3) 0.48518(19) 0.0314(9) Uani 1 1 d . . . H26A H 0.0367 0.2381 0.5195 0.080 Uiso 1 1 d R . . C27 C 0.1017(3) 0.2051(3) 0.42446(17) 0.0232(8) Uani 1 1 d . . . C28 C 0.3858(3) 0.3497(3) 0.3355(2) 0.0413(10) Uani 1 1 d . . . H28A H 0.3554 0.3301 0.2916 0.080 Uiso 1 1 calc R . . H28B H 0.4695 0.3161 0.3448 0.080 Uiso 1 1 calc R . . H28C H 0.3974 0.4238 0.3374 0.080 Uiso 1 1 calc R . . C29 C 0.0075(4) 0.1170(3) 0.4115(2) 0.0364(10) Uani 1 1 d . . . H29A H -0.0122 0.0822 0.4530 0.080 Uiso 1 1 calc R . . H29B H 0.0479 0.0688 0.3808 0.080 Uiso 1 1 calc R . . H29C H -0.0738 0.1435 0.3924 0.080 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cr1 0.0146(3) 0.0152(3) 0.0190(3) 0.0007(2) 0.0010(2) 0.0013(2) Si1 0.0215(5) 0.0201(5) 0.0198(4) 0.0013(4) 0.0039(5) 0.0000(5) N1 0.0234(16) 0.0267(16) 0.0191(17) -0.0015(12) 0.0022(12) 0.0031(13) C1 0.0159(17) 0.0163(18) 0.0238(19) -0.0012(15) 0.0057(15) 0.0060(15) C2 0.0164(18) 0.019(2) 0.028(2) 0.0017(16) 0.0025(15) 0.0053(15) C3 0.0165(18) 0.0193(18) 0.028(2) 0.0011(16) -0.0009(15) 0.0044(16) C4 0.0188(18) 0.0185(18) 0.024(2) 0.0062(16) 0.0028(16) 0.0042(16) C5 0.0172(18) 0.0136(17) 0.0242(18) 0.0012(13) 0.0039(14) 0.0045(15) C6 0.0174(18) 0.0158(18) 0.0200(18) 0.0044(15) -0.0034(14) 0.0043(15) C7 0.0199(18) 0.0151(18) 0.0259(19) 0.0051(15) -0.0020(15) 0.0047(15) C8 0.0231(17) 0.0171(18) 0.0252(19) 0.0016(17) -0.0061(18) 0.0068(15) C9 0.0167(16) 0.0190(18) 0.0248(19) 0.0012(16) -0.0034(16) 0.0058(14) C10 0.0165(17) 0.0182(19) 0.0222(18) 0.0021(17) 0.0006(14) 0.0046(17) C11 0.0204(19) 0.032(2) 0.037(2) 0.0045(18) 0.0049(17) -0.0001(17) C12 0.025(2) 0.035(2) 0.038(2) 0.000(2) -0.0073(18) 0.0021(19) C13 0.038(2) 0.027(2) 0.025(2) 0.0054(16) 0.0005(17) 0.0010(18) C14 0.032(2) 0.021(2) 0.031(2) -0.0004(16) 0.0042(16) -0.0014(16) C15 0.036(2) 0.0196(18) 0.0353(19) 0.0071(16) 0.0041(17) -0.009(2) C16 0.035(2) 0.019(2) 0.036(2) -0.0033(17) -0.0063(18) 0.0036(16) C17 0.0213(19) 0.032(2) 0.028(2) -0.0030(17) 0.0049(16) 0.0048(17) C18 0.0177(19) 0.027(2) 0.031(2) -0.0031(17) -0.0015(16) -0.0025(16) C19 0.030(2) 0.032(2) 0.026(2) -0.0047(17) 0.0035(18) 0.0002(18) C20 0.033(2) 0.035(2) 0.026(2) 0.0030(18) 0.0053(17) 0.0041(19) C21 0.0124(18) 0.0164(17) 0.035(2) 0.0048(15) -0.0029(15) -0.0013(14) C22 0.0184(18) 0.0192(19) 0.0220(18) 0.0001(15) -0.0025(15) 0.0042(15) C23 0.025(2) 0.0257(19) 0.031(2) 0.0054(15) -0.0102(16) 0.0047(17) C24 0.030(2) 0.0231(18) 0.039(2) -0.0034(17) -0.0158(18) 0.0059(19) C25 0.044(2) 0.040(3) 0.028(2) -0.0084(19) -0.0125(19) 0.017(2) C26 0.036(2) 0.032(2) 0.026(2) -0.0041(19) 0.0002(18) 0.0094(19) C27 0.0229(19) 0.023(2) 0.024(2) 0.0007(16) -0.0007(16) 0.0029(16) C28 0.032(2) 0.041(2) 0.050(2) 0.008(2) 0.001(2) -0.010(2) C29 0.037(2) 0.033(3) 0.039(2) -0.0013(19) 0.010(2) -0.008(2) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Cr1 C21 1.876(4) . ? Cr1 C6 2.155(3) . ? Cr1 C1 2.162(3) . ? Cr1 C10 2.164(3) . ? Cr1 C5 2.172(3) . ? Cr1 C7 2.176(3) . ? Cr1 C2 2.178(3) . ? Cr1 C4 2.203(3) . ? Cr1 C9 2.221(3) . ? Cr1 C8 2.220(3) . ? Cr1 C3 2.223(3) . ? Si1 C20 1.870(4) . ? Si1 C19 1.871(4) . ? Si1 C6 1.872(3) . ? Si1 C1 1.881(3) . ? N1 C21 1.193(4) . ? N1 C22 1.401(4) . ? C1 C5 1.449(5) . ? C1 C2 1.443(5) . ? C2 C3 1.419(5) . ? C2 C11 1.509(5) . ? C3 C4 1.441(5) . ? C3 C12 1.500(5) . ? C4 C5 1.402(5) . ? C4 C13 1.513(5) . ? C5 C14 1.519(5) . ? C6 C10 1.451(5) . ? C6 C7 1.455(5) . ? C7 C8 1.415(5) . ? C7 C15 1.500(5) . ? C8 C9 1.425(5) . ? C8 C16 1.504(5) . ? C9 C10 1.408(5) . ? C9 C17 1.498(5) . ? C10 C18 1.507(5) . ? C11 H11A 0.9600 . ? C11 H11B 0.9600 . ? C11 H11C 0.9600 . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 H13A 0.9600 . ? C13 H13B 0.9600 . ? C13 H13C 0.9600 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 H17A 0.9600 . ? C17 H17B 0.9600 . ? C17 H17C 0.9600 . ? C18 H18A 0.9600 . ? C18 H18B 0.9600 . ? C18 H18C 0.9600 . ? C19 H19A 0.9600 . ? C19 H19B 0.9600 . ? C19 H19C 0.9600 . ? C20 H20A 0.9600 . ? C20 H20B 0.9600 . ? C20 H20C 0.9600 . ? C22 C27 1.397(5) . ? C22 C23 1.399(5) . ? C23 C24 1.391(5) . ? C23 C28 1.499(5) . ? C24 C25 1.387(5) . ? C24 H24A 0.9600 . ? C25 C26 1.381(6) . ? C25 H25A 0.9601 . ? C26 C27 1.391(5) . ? C26 H26A 0.9600 . ? C27 C29 1.496(5) . ? C28 H28A 0.9600 . ? C28 H28B 0.9600 . ? C28 H28C 0.9600 . ? C29 H29A 0.9600 . ? C29 H29B 0.9600 . ? C29 H29C 0.9600 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C21 Cr1 C6 140.32(14) . . ? C21 Cr1 C1 142.83(13) . . ? C6 Cr1 C1 76.76(12) . . ? C21 Cr1 C10 111.67(13) . . ? C6 Cr1 C10 39.26(12) . . ? C1 Cr1 C10 97.96(13) . . ? C21 Cr1 C5 113.50(13) . . ? C6 Cr1 C5 98.35(12) . . ? C1 Cr1 C5 39.08(13) . . ? C10 Cr1 C5 95.22(13) . . ? C21 Cr1 C7 113.19(13) . . ? C6 Cr1 C7 39.27(13) . . ? C1 Cr1 C7 99.25(13) . . ? C10 Cr1 C7 64.87(13) . . ? C5 Cr1 C7 133.23(12) . . ? C21 Cr1 C2 116.10(14) . . ? C6 Cr1 C2 98.33(13) . . ? C1 Cr1 C2 38.83(13) . . ? C10 Cr1 C2 132.20(12) . . ? C5 Cr1 C2 64.55(13) . . ? C7 Cr1 C2 96.92(13) . . ? C21 Cr1 C4 80.41(13) . . ? C6 Cr1 C4 135.49(13) . . ? C1 Cr1 C4 63.98(13) . . ? C10 Cr1 C4 124.99(14) . . ? C5 Cr1 C4 37.36(12) . . ? C7 Cr1 C4 160.33(13) . . ? C2 Cr1 C4 63.67(13) . . ? C21 Cr1 C9 78.15(13) . . ? C6 Cr1 C9 63.99(12) . . ? C1 Cr1 C9 135.19(13) . . ? C10 Cr1 C9 37.43(12) . . ? C5 Cr1 C9 124.99(12) . . ? C7 Cr1 C9 63.34(12) . . ? C2 Cr1 C9 159.78(13) . . ? C4 Cr1 C9 135.65(12) . . ? C21 Cr1 C8 78.94(13) . . ? C6 Cr1 C8 64.04(13) . . ? C1 Cr1 C8 136.40(13) . . ? C10 Cr1 C8 63.27(13) . . ? C5 Cr1 C8 158.38(12) . . ? C7 Cr1 C8 37.55(13) . . ? C2 Cr1 C8 127.55(13) . . ? C4 Cr1 C8 159.32(13) . . ? C9 Cr1 C8 37.44(12) . . ? C21 Cr1 C3 81.79(13) . . ? C6 Cr1 C3 135.66(13) . . ? C1 Cr1 C3 63.85(13) . . ? C10 Cr1 C3 158.35(13) . . ? C5 Cr1 C3 63.36(12) . . ? C7 Cr1 C3 126.85(13) . . ? C2 Cr1 C3 37.60(12) . . ? C4 Cr1 C3 37.99(13) . . ? C9 Cr1 C3 159.93(13) . . ? C8 Cr1 C3 137.92(13) . . ? C20 Si1 C19 103.07(17) . . ? C20 Si1 C6 115.53(16) . . ? C19 Si1 C6 114.10(16) . . ? C20 Si1 C1 115.94(16) . . ? C19 Si1 C1 117.64(16) . . ? C6 Si1 C1 91.15(14) . . ? C21 N1 C22 153.2(3) . . ? C5 C1 C2 106.8(3) . . ? C5 C1 Si1 121.8(2) . . ? C2 C1 Si1 122.1(3) . . ? C5 C1 Cr1 70.83(18) . . ? C2 C1 Cr1 71.17(19) . . ? Si1 C1 Cr1 95.80(14) . . ? C3 C2 C1 108.3(3) . . ? C3 C2 C11 122.4(3) . . ? C1 C2 C11 128.3(3) . . ? C3 C2 Cr1 72.9(2) . . ? C1 C2 Cr1 69.99(19) . . ? C11 C2 Cr1 132.1(2) . . ? C2 C3 C4 107.8(3) . . ? C2 C3 C12 126.6(3) . . ? C4 C3 C12 125.2(3) . . ? C2 C3 Cr1 69.45(19) . . ? C4 C3 Cr1 70.24(18) . . ? C12 C3 Cr1 131.4(3) . . ? C5 C4 C3 108.6(3) . . ? C5 C4 C13 125.9(3) . . ? C3 C4 C13 125.0(3) . . ? C5 C4 Cr1 70.11(18) . . ? C3 C4 Cr1 71.77(19) . . ? C13 C4 Cr1 130.0(2) . . ? C4 C5 C1 108.4(3) . . ? C4 C5 C14 122.5(3) . . ? C1 C5 C14 128.0(3) . . ? C4 C5 Cr1 72.53(19) . . ? C1 C5 Cr1 70.09(18) . . ? C14 C5 Cr1 132.8(2) . . ? C10 C6 C7 106.5(3) . . ? C10 C6 Si1 121.1(3) . . ? C7 C6 Si1 123.5(2) . . ? C10 C6 Cr1 70.72(18) . . ? C7 C6 Cr1 71.15(18) . . ? Si1 C6 Cr1 96.29(14) . . ? C8 C7 C6 107.8(3) . . ? C8 C7 C15 123.5(3) . . ? C6 C7 C15 127.6(3) . . ? C8 C7 Cr1 72.91(19) . . ? C6 C7 Cr1 69.58(18) . . ? C15 C7 Cr1 132.1(2) . . ? C7 C8 C9 108.7(3) . . ? C7 C8 C16 125.7(3) . . ? C9 C8 C16 125.0(3) . . ? C7 C8 Cr1 69.54(18) . . ? C9 C8 Cr1 71.31(18) . . ? C16 C8 Cr1 132.1(2) . . ? C10 C9 C8 108.6(3) . . ? C10 C9 C17 125.1(3) . . ? C8 C9 C17 126.0(3) . . ? C10 C9 Cr1 69.11(18) . . ? C8 C9 Cr1 71.25(18) . . ? C17 C9 Cr1 130.5(2) . . ? C9 C10 C6 108.4(3) . . ? C9 C10 C18 122.5(3) . . ? C6 C10 C18 128.0(3) . . ? C9 C10 Cr1 73.46(18) . . ? C6 C10 Cr1 70.02(18) . . ? C18 C10 Cr1 132.0(3) . . ? C2 C11 H11A 109.5 . . ? C2 C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C2 C11 H11C 109.5 . . ? H11A C11 H11C 109.5 . . ? H11B C11 H11C 109.5 . . ? C3 C12 H12A 109.5 . . ? C3 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C3 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C4 C13 H13A 109.5 . . ? C4 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C4 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C5 C14 H14A 109.5 . . ? C5 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C5 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C7 C15 H15A 109.5 . . ? C7 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C7 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? C8 C16 H16A 109.5 . . ? C8 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? C8 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? C9 C17 H17A 109.5 . . ? C9 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C9 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C10 C18 H18A 109.5 . . ? C10 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C10 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? Si1 C19 H19A 109.5 . . ? Si1 C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? Si1 C19 H19C 109.5 . . ? H19A C19 H19C 109.5 . . ? H19B C19 H19C 109.5 . . ? Si1 C20 H20A 109.5 . . ? Si1 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? Si1 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? N1 C21 Cr1 172.0(3) . . ? C27 C22 N1 116.3(3) . . ? C27 C22 C23 121.8(3) . . ? N1 C22 C23 121.9(3) . . ? C24 C23 C22 117.8(3) . . ? C24 C23 C28 119.7(3) . . ? C22 C23 C28 122.5(3) . . ? C25 C24 C23 121.1(3) . . ? C25 C24 H24A 119.5 . . ? C23 C24 H24A 119.4 . . ? C26 C25 C24 120.2(4) . . ? C26 C25 H25A 120.1 . . ? C24 C25 H25A 119.7 . . ? C25 C26 C27 120.5(4) . . ? C25 C26 H26A 119.8 . . ? C27 C26 H26A 119.7 . . ? C22 C27 C26 118.6(3) . . ? C22 C27 C29 120.7(3) . . ? C26 C27 C29 120.7(3) . . ? C23 C28 H28A 109.5 . . ? C23 C28 H28B 109.5 . . ? H28A C28 H28B 109.5 . . ? C23 C28 H28C 109.5 . . ? H28A C28 H28C 109.5 . . ? H28B C28 H28C 109.5 . . ? C27 C29 H29A 109.5 . . ? C27 C29 H29B 109.5 . . ? H29A C29 H29B 109.5 . . ? C27 C29 H29C 109.5 . . ? H29A C29 H29C 109.5 . . ? H29B C29 H29C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C20 Si1 C1 C5 -169.7(3) . . . . ? C19 Si1 C1 C5 -47.1(3) . . . . ? C6 Si1 C1 C5 71.1(3) . . . . ? C20 Si1 C1 C2 47.9(3) . . . . ? C19 Si1 C1 C2 170.5(3) . . . . ? C6 Si1 C1 C2 -71.3(3) . . . . ? C20 Si1 C1 Cr1 119.33(16) . . . . ? C19 Si1 C1 Cr1 -118.08(16) . . . . ? C6 Si1 C1 Cr1 0.05(15) . . . . ? C21 Cr1 C1 C5 54.8(3) . . . . ? C6 Cr1 C1 C5 -121.8(2) . . . . ? C10 Cr1 C1 C5 -88.5(2) . . . . ? C7 Cr1 C1 C5 -154.17(19) . . . . ? C2 Cr1 C1 C5 116.3(3) . . . . ? C4 Cr1 C1 C5 36.69(18) . . . . ? C9 Cr1 C1 C5 -92.9(2) . . . . ? C8 Cr1 C1 C5 -147.71(19) . . . . ? C3 Cr1 C1 C5 79.2(2) . . . . ? C21 Cr1 C1 C2 -61.5(3) . . . . ? C6 Cr1 C1 C2 122.0(2) . . . . ? C10 Cr1 C1 C2 155.2(2) . . . . ? C5 Cr1 C1 C2 -116.3(3) . . . . ? C7 Cr1 C1 C2 89.6(2) . . . . ? C4 Cr1 C1 C2 -79.6(2) . . . . ? C9 Cr1 C1 C2 150.8(2) . . . . ? C8 Cr1 C1 C2 96.0(2) . . . . ? C3 Cr1 C1 C2 -37.10(19) . . . . ? C21 Cr1 C1 Si1 176.48(16) . . . . ? C6 Cr1 C1 Si1 -0.04(14) . . . . ? C10 Cr1 C1 Si1 33.23(16) . . . . ? C5 Cr1 C1 Si1 121.7(2) . . . . ? C7 Cr1 C1 Si1 -32.46(16) . . . . ? C2 Cr1 C1 Si1 -122.0(2) . . . . ? C4 Cr1 C1 Si1 158.40(19) . . . . ? C9 Cr1 C1 Si1 28.8(2) . . . . ? C8 Cr1 C1 Si1 -26.0(2) . . . . ? C3 Cr1 C1 Si1 -159.11(19) . . . . ? C5 C1 C2 C3 1.1(4) . . . . ? Si1 C1 C2 C3 148.3(3) . . . . ? Cr1 C1 C2 C3 63.3(2) . . . . ? C5 C1 C2 C11 169.3(3) . . . . ? Si1 C1 C2 C11 -43.5(5) . . . . ? Cr1 C1 C2 C11 -128.4(4) . . . . ? C5 C1 C2 Cr1 -62.2(2) . . . . ? Si1 C1 C2 Cr1 85.0(2) . . . . ? C21 Cr1 C2 C3 26.3(2) . . . . ? C6 Cr1 C2 C3 -174.0(2) . . . . ? C1 Cr1 C2 C3 -117.5(3) . . . . ? C10 Cr1 C2 C3 -151.5(2) . . . . ? C5 Cr1 C2 C3 -78.7(2) . . . . ? C7 Cr1 C2 C3 146.4(2) . . . . ? C4 Cr1 C2 C3 -37.0(2) . . . . ? C9 Cr1 C2 C3 158.2(3) . . . . ? C8 Cr1 C2 C3 122.4(2) . . . . ? C21 Cr1 C2 C1 143.7(2) . . . . ? C6 Cr1 C2 C1 -56.6(2) . . . . ? C10 Cr1 C2 C1 -34.0(3) . . . . ? C5 Cr1 C2 C1 38.76(19) . . . . ? C7 Cr1 C2 C1 -96.2(2) . . . . ? C4 Cr1 C2 C1 80.5(2) . . . . ? C9 Cr1 C2 C1 -84.3(4) . . . . ? C8 Cr1 C2 C1 -120.1(2) . . . . ? C3 Cr1 C2 C1 117.5(3) . . . . ? C21 Cr1 C2 C11 -92.3(4) . . . . ? C6 Cr1 C2 C11 67.4(4) . . . . ? C1 Cr1 C2 C11 124.0(4) . . . . ? C10 Cr1 C2 C11 89.9(4) . . . . ? C5 Cr1 C2 C11 162.8(4) . . . . ? C7 Cr1 C2 C11 27.8(4) . . . . ? C4 Cr1 C2 C11 -155.5(4) . . . . ? C9 Cr1 C2 C11 39.7(6) . . . . ? C8 Cr1 C2 C11 3.9(4) . . . . ? C3 Cr1 C2 C11 -118.5(4) . . . . ? C1 C2 C3 C4 -1.4(4) . . . . ? C11 C2 C3 C4 -170.5(3) . . . . ? Cr1 C2 C3 C4 60.0(2) . . . . ? C1 C2 C3 C12 171.6(3) . . . . ? C11 C2 C3 C12 2.5(6) . . . . ? Cr1 C2 C3 C12 -127.0(4) . . . . ? C1 C2 C3 Cr1 -61.4(2) . . . . ? C11 C2 C3 Cr1 129.5(3) . . . . ? C21 Cr1 C3 C2 -156.3(2) . . . . ? C6 Cr1 C3 C2 8.5(3) . . . . ? C1 Cr1 C3 C2 38.3(2) . . . . ? C10 Cr1 C3 C2 73.3(4) . . . . ? C5 Cr1 C3 C2 82.2(2) . . . . ? C7 Cr1 C3 C2 -43.4(3) . . . . ? C4 Cr1 C3 C2 118.8(3) . . . . ? C9 Cr1 C3 C2 -158.1(3) . . . . ? C8 Cr1 C3 C2 -93.0(3) . . . . ? C21 Cr1 C3 C4 84.9(2) . . . . ? C6 Cr1 C3 C4 -110.3(2) . . . . ? C1 Cr1 C3 C4 -80.5(2) . . . . ? C10 Cr1 C3 C4 -45.5(4) . . . . ? C5 Cr1 C3 C4 -36.6(2) . . . . ? C7 Cr1 C3 C4 -162.2(2) . . . . ? C2 Cr1 C3 C4 -118.8(3) . . . . ? C9 Cr1 C3 C4 83.1(4) . . . . ? C8 Cr1 C3 C4 148.2(2) . . . . ? C21 Cr1 C3 C12 -35.1(3) . . . . ? C6 Cr1 C3 C12 129.7(3) . . . . ? C1 Cr1 C3 C12 159.5(4) . . . . ? C10 Cr1 C3 C12 -165.4(3) . . . . ? C5 Cr1 C3 C12 -156.6(4) . . . . ? C7 Cr1 C3 C12 77.8(4) . . . . ? C2 Cr1 C3 C12 121.2(4) . . . . ? C4 Cr1 C3 C12 -120.0(4) . . . . ? C9 Cr1 C3 C12 -36.8(6) . . . . ? C8 Cr1 C3 C12 28.3(4) . . . . ? C2 C3 C4 C5 1.2(4) . . . . ? C12 C3 C4 C5 -171.9(3) . . . . ? Cr1 C3 C4 C5 60.7(2) . . . . ? C2 C3 C4 C13 173.9(3) . . . . ? C12 C3 C4 C13 0.8(5) . . . . ? Cr1 C3 C4 C13 -126.5(3) . . . . ? C2 C3 C4 Cr1 -59.5(2) . . . . ? C12 C3 C4 Cr1 127.3(3) . . . . ? C21 Cr1 C4 C5 152.6(2) . . . . ? C6 Cr1 C4 C5 -7.7(3) . . . . ? C1 Cr1 C4 C5 -38.36(19) . . . . ? C10 Cr1 C4 C5 42.8(2) . . . . ? C7 Cr1 C4 C5 -71.9(4) . . . . ? C2 Cr1 C4 C5 -81.8(2) . . . . ? C9 Cr1 C4 C5 90.7(2) . . . . ? C8 Cr1 C4 C5 150.3(3) . . . . ? C3 Cr1 C4 C5 -118.5(3) . . . . ? C21 Cr1 C4 C3 -88.9(2) . . . . ? C6 Cr1 C4 C3 110.8(2) . . . . ? C1 Cr1 C4 C3 80.1(2) . . . . ? C10 Cr1 C4 C3 161.27(19) . . . . ? C5 Cr1 C4 C3 118.5(3) . . . . ? C7 Cr1 C4 C3 46.6(5) . . . . ? C2 Cr1 C4 C3 36.63(19) . . . . ? C9 Cr1 C4 C3 -150.8(2) . . . . ? C8 Cr1 C4 C3 -91.3(4) . . . . ? C21 Cr1 C4 C13 31.9(3) . . . . ? C6 Cr1 C4 C13 -128.4(3) . . . . ? C1 Cr1 C4 C13 -159.1(4) . . . . ? C10 Cr1 C4 C13 -77.9(4) . . . . ? C5 Cr1 C4 C13 -120.7(4) . . . . ? C7 Cr1 C4 C13 167.4(3) . . . . ? C2 Cr1 C4 C13 157.4(4) . . . . ? C9 Cr1 C4 C13 -30.0(4) . . . . ? C8 Cr1 C4 C13 29.5(6) . . . . ? C3 Cr1 C4 C13 120.8(4) . . . . ? C3 C4 C5 C1 -0.5(4) . . . . ? C13 C4 C5 C1 -173.2(3) . . . . ? Cr1 C4 C5 C1 61.2(2) . . . . ? C3 C4 C5 C14 168.2(3) . . . . ? C13 C4 C5 C14 -4.5(5) . . . . ? Cr1 C4 C5 C14 -130.1(3) . . . . ? C3 C4 C5 Cr1 -61.8(2) . . . . ? C13 C4 C5 Cr1 125.6(3) . . . . ? C2 C1 C5 C4 -0.3(4) . . . . ? Si1 C1 C5 C4 -147.6(3) . . . . ? Cr1 C1 C5 C4 -62.8(2) . . . . ? C2 C1 C5 C14 -168.2(3) . . . . ? Si1 C1 C5 C14 44.5(4) . . . . ? Cr1 C1 C5 C14 129.3(3) . . . . ? C2 C1 C5 Cr1 62.5(2) . . . . ? Si1 C1 C5 Cr1 -84.8(2) . . . . ? C21 Cr1 C5 C4 -29.7(2) . . . . ? C6 Cr1 C5 C4 174.56(19) . . . . ? C1 Cr1 C5 C4 117.8(3) . . . . ? C10 Cr1 C5 C4 -146.0(2) . . . . ? C7 Cr1 C5 C4 153.95(19) . . . . ? C2 Cr1 C5 C4 79.3(2) . . . . ? C9 Cr1 C5 C4 -121.4(2) . . . . ? C8 Cr1 C5 C4 -151.6(3) . . . . ? C3 Cr1 C5 C4 37.25(19) . . . . ? C21 Cr1 C5 C1 -147.44(19) . . . . ? C6 Cr1 C5 C1 56.8(2) . . . . ? C10 Cr1 C5 C1 96.2(2) . . . . ? C7 Cr1 C5 C1 36.2(3) . . . . ? C2 Cr1 C5 C1 -38.51(19) . . . . ? C4 Cr1 C5 C1 -117.8(3) . . . . ? C9 Cr1 C5 C1 120.8(2) . . . . ? C8 Cr1 C5 C1 90.6(4) . . . . ? C3 Cr1 C5 C1 -80.5(2) . . . . ? C21 Cr1 C5 C14 88.8(3) . . . . ? C6 Cr1 C5 C14 -67.0(3) . . . . ? C1 Cr1 C5 C14 -123.8(4) . . . . ? C10 Cr1 C5 C14 -27.6(3) . . . . ? C7 Cr1 C5 C14 -87.6(3) . . . . ? C2 Cr1 C5 C14 -162.3(3) . . . . ? C4 Cr1 C5 C14 118.4(4) . . . . ? C9 Cr1 C5 C14 -3.0(4) . . . . ? C8 Cr1 C5 C14 -33.2(5) . . . . ? C3 Cr1 C5 C14 155.7(3) . . . . ? C20 Si1 C6 C10 169.1(3) . . . . ? C19 Si1 C6 C10 49.8(3) . . . . ? C1 Si1 C6 C10 -71.3(3) . . . . ? C20 Si1 C6 C7 -48.2(3) . . . . ? C19 Si1 C6 C7 -167.4(3) . . . . ? C1 Si1 C6 C7 71.5(3) . . . . ? C20 Si1 C6 Cr1 -119.68(16) . . . . ? C19 Si1 C6 Cr1 121.10(16) . . . . ? C1 Si1 C6 Cr1 -0.05(15) . . . . ? C21 Cr1 C6 C10 -55.9(3) . . . . ? C1 Cr1 C6 C10 120.8(2) . . . . ? C5 Cr1 C6 C10 88.0(2) . . . . ? C7 Cr1 C6 C10 -115.9(3) . . . . ? C2 Cr1 C6 C10 153.4(2) . . . . ? C4 Cr1 C6 C10 92.7(2) . . . . ? C9 Cr1 C6 C10 -36.9(2) . . . . ? C8 Cr1 C6 C10 -78.8(2) . . . . ? C3 Cr1 C6 C10 148.2(2) . . . . ? C21 Cr1 C6 C7 60.0(3) . . . . ? C1 Cr1 C6 C7 -123.3(2) . . . . ? C10 Cr1 C6 C7 115.9(3) . . . . ? C5 Cr1 C6 C7 -156.09(19) . . . . ? C2 Cr1 C6 C7 -90.8(2) . . . . ? C4 Cr1 C6 C7 -151.4(2) . . . . ? C9 Cr1 C6 C7 78.9(2) . . . . ? C8 Cr1 C6 C7 37.10(19) . . . . ? C3 Cr1 C6 C7 -96.0(2) . . . . ? C21 Cr1 C6 Si1 -176.67(15) . . . . ? C1 Cr1 C6 Si1 0.04(14) . . . . ? C10 Cr1 C6 Si1 -120.8(2) . . . . ? C5 Cr1 C6 Si1 -32.76(15) . . . . ? C7 Cr1 C6 Si1 123.3(2) . . . . ? C2 Cr1 C6 Si1 32.56(16) . . . . ? C4 Cr1 C6 Si1 -28.1(2) . . . . ? C9 Cr1 C6 Si1 -157.74(18) . . . . ? C8 Cr1 C6 Si1 160.43(18) . . . . ? C3 Cr1 C6 Si1 27.4(2) . . . . ? C10 C6 C7 C8 -1.0(3) . . . . ? Si1 C6 C7 C8 -148.3(2) . . . . ? Cr1 C6 C7 C8 -63.3(2) . . . . ? C10 C6 C7 C15 -169.7(3) . . . . ? Si1 C6 C7 C15 43.0(5) . . . . ? Cr1 C6 C7 C15 128.0(3) . . . . ? C10 C6 C7 Cr1 62.3(2) . . . . ? Si1 C6 C7 Cr1 -85.0(2) . . . . ? C21 Cr1 C7 C8 -25.9(2) . . . . ? C6 Cr1 C7 C8 117.1(3) . . . . ? C1 Cr1 C7 C8 172.7(2) . . . . ? C10 Cr1 C7 C8 78.2(2) . . . . ? C5 Cr1 C7 C8 150.5(2) . . . . ? C2 Cr1 C7 C8 -148.1(2) . . . . ? C4 Cr1 C7 C8 -157.1(3) . . . . ? C9 Cr1 C7 C8 36.42(19) . . . . ? C3 Cr1 C7 C8 -123.2(2) . . . . ? C21 Cr1 C7 C6 -143.0(2) . . . . ? C1 Cr1 C7 C6 55.5(2) . . . . ? C10 Cr1 C7 C6 -38.97(19) . . . . ? C5 Cr1 C7 C6 33.4(3) . . . . ? C2 Cr1 C7 C6 94.7(2) . . . . ? C4 Cr1 C7 C6 85.7(4) . . . . ? C9 Cr1 C7 C6 -80.7(2) . . . . ? C8 Cr1 C7 C6 -117.1(3) . . . . ? C3 Cr1 C7 C6 119.7(2) . . . . ? C21 Cr1 C7 C15 94.2(3) . . . . ? C6 Cr1 C7 C15 -122.8(4) . . . . ? C1 Cr1 C7 C15 -67.3(3) . . . . ? C10 Cr1 C7 C15 -161.8(4) . . . . ? C5 Cr1 C7 C15 -89.4(3) . . . . ? C2 Cr1 C7 C15 -28.1(3) . . . . ? C4 Cr1 C7 C15 -37.1(6) . . . . ? C9 Cr1 C7 C15 156.5(4) . . . . ? C8 Cr1 C7 C15 120.0(4) . . . . ? C3 Cr1 C7 C15 -3.1(4) . . . . ? C6 C7 C8 C9 0.3(4) . . . . ? C15 C7 C8 C9 169.6(3) . . . . ? Cr1 C7 C8 C9 -60.8(2) . . . . ? C6 C7 C8 C16 -171.0(3) . . . . ? C15 C7 C8 C16 -1.8(5) . . . . ? Cr1 C7 C8 C16 127.8(3) . . . . ? C6 C7 C8 Cr1 61.2(2) . . . . ? C15 C7 C8 Cr1 -129.6(3) . . . . ? C21 Cr1 C8 C7 155.9(2) . . . . ? C6 Cr1 C8 C7 -38.8(2) . . . . ? C1 Cr1 C8 C7 -10.5(3) . . . . ? C10 Cr1 C8 C7 -82.8(2) . . . . ? C5 Cr1 C8 C7 -76.6(4) . . . . ? C2 Cr1 C8 C7 41.4(3) . . . . ? C4 Cr1 C8 C7 158.2(3) . . . . ? C9 Cr1 C8 C7 -119.2(3) . . . . ? C3 Cr1 C8 C7 91.6(3) . . . . ? C21 Cr1 C8 C9 -84.9(2) . . . . ? C6 Cr1 C8 C9 80.4(2) . . . . ? C1 Cr1 C8 C9 108.7(2) . . . . ? C10 Cr1 C8 C9 36.40(19) . . . . ? C5 Cr1 C8 C9 42.6(4) . . . . ? C7 Cr1 C8 C9 119.2(3) . . . . ? C2 Cr1 C8 C9 160.6(2) . . . . ? C4 Cr1 C8 C9 -82.5(4) . . . . ? C3 Cr1 C8 C9 -149.2(2) . . . . ? C21 Cr1 C8 C16 35.7(3) . . . . ? C6 Cr1 C8 C16 -158.9(4) . . . . ? C1 Cr1 C8 C16 -130.7(3) . . . . ? C10 Cr1 C8 C16 157.0(4) . . . . ? C5 Cr1 C8 C16 163.3(3) . . . . ? C7 Cr1 C8 C16 -120.2(4) . . . . ? C2 Cr1 C8 C16 -78.8(4) . . . . ? C4 Cr1 C8 C16 38.1(6) . . . . ? C9 Cr1 C8 C16 120.6(4) . . . . ? C3 Cr1 C8 C16 -28.6(4) . . . . ? C7 C8 C9 C10 0.5(4) . . . . ? C16 C8 C9 C10 171.9(3) . . . . ? Cr1 C8 C9 C10 -59.3(2) . . . . ? C7 C8 C9 C17 -173.3(3) . . . . ? C16 C8 C9 C17 -1.9(5) . . . . ? Cr1 C8 C9 C17 127.0(3) . . . . ? C7 C8 C9 Cr1 59.7(2) . . . . ? C16 C8 C9 Cr1 -128.8(3) . . . . ? C21 Cr1 C9 C10 -153.5(2) . . . . ? C6 Cr1 C9 C10 38.7(2) . . . . ? C1 Cr1 C9 C10 7.3(3) . . . . ? C5 Cr1 C9 C10 -43.0(2) . . . . ? C7 Cr1 C9 C10 82.8(2) . . . . ? C2 Cr1 C9 C10 69.5(4) . . . . ? C4 Cr1 C9 C10 -90.8(2) . . . . ? C8 Cr1 C9 C10 119.3(3) . . . . ? C3 Cr1 C9 C10 -151.7(3) . . . . ? C21 Cr1 C9 C8 87.2(2) . . . . ? C6 Cr1 C9 C8 -80.6(2) . . . . ? C1 Cr1 C9 C8 -112.0(2) . . . . ? C10 Cr1 C9 C8 -119.3(3) . . . . ? C5 Cr1 C9 C8 -162.26(19) . . . . ? C7 Cr1 C9 C8 -36.5(2) . . . . ? C2 Cr1 C9 C8 -49.8(5) . . . . ? C4 Cr1 C9 C8 149.9(2) . . . . ? C3 Cr1 C9 C8 89.0(4) . . . . ? C21 Cr1 C9 C17 -34.6(3) . . . . ? C6 Cr1 C9 C17 157.7(3) . . . . ? C1 Cr1 C9 C17 126.2(3) . . . . ? C10 Cr1 C9 C17 118.9(4) . . . . ? C5 Cr1 C9 C17 76.0(3) . . . . ? C7 Cr1 C9 C17 -158.3(4) . . . . ? C2 Cr1 C9 C17 -171.5(3) . . . . ? C4 Cr1 C9 C17 28.2(4) . . . . ? C8 Cr1 C9 C17 -121.8(4) . . . . ? C3 Cr1 C9 C17 -32.8(6) . . . . ? C8 C9 C10 C6 -1.1(4) . . . . ? C17 C9 C10 C6 172.8(3) . . . . ? Cr1 C9 C10 C6 -61.7(2) . . . . ? C8 C9 C10 C18 -169.8(3) . . . . ? C17 C9 C10 C18 4.1(5) . . . . ? Cr1 C9 C10 C18 129.6(3) . . . . ? C8 C9 C10 Cr1 60.6(2) . . . . ? C17 C9 C10 Cr1 -125.6(3) . . . . ? C7 C6 C10 C9 1.3(4) . . . . ? Si1 C6 C10 C9 149.6(2) . . . . ? Cr1 C6 C10 C9 63.9(2) . . . . ? C7 C6 C10 C18 169.2(3) . . . . ? Si1 C6 C10 C18 -42.6(5) . . . . ? Cr1 C6 C10 C18 -128.2(4) . . . . ? C7 C6 C10 Cr1 -62.6(2) . . . . ? Si1 C6 C10 Cr1 85.7(2) . . . . ? C21 Cr1 C10 C9 28.0(2) . . . . ? C6 Cr1 C10 C9 -117.3(3) . . . . ? C1 Cr1 C10 C9 -174.8(2) . . . . ? C5 Cr1 C10 C9 145.9(2) . . . . ? C7 Cr1 C10 C9 -78.3(2) . . . . ? C2 Cr1 C10 C9 -154.08(19) . . . . ? C4 Cr1 C10 C9 121.4(2) . . . . ? C8 Cr1 C10 C9 -36.4(2) . . . . ? C3 Cr1 C10 C9 153.8(3) . . . . ? C21 Cr1 C10 C6 145.3(2) . . . . ? C1 Cr1 C10 C6 -57.6(2) . . . . ? C5 Cr1 C10 C6 -96.8(2) . . . . ? C7 Cr1 C10 C6 38.98(19) . . . . ? C2 Cr1 C10 C6 -36.8(3) . . . . ? C4 Cr1 C10 C6 -121.3(2) . . . . ? C9 Cr1 C10 C6 117.3(3) . . . . ? C8 Cr1 C10 C6 80.9(2) . . . . ? C3 Cr1 C10 C6 -88.9(4) . . . . ? C21 Cr1 C10 C18 -91.0(3) . . . . ? C6 Cr1 C10 C18 123.6(4) . . . . ? C1 Cr1 C10 C18 66.1(3) . . . . ? C5 Cr1 C10 C18 26.8(3) . . . . ? C7 Cr1 C10 C18 162.6(4) . . . . ? C2 Cr1 C10 C18 86.8(4) . . . . ? C4 Cr1 C10 C18 2.4(4) . . . . ? C9 Cr1 C10 C18 -119.1(4) . . . . ? C8 Cr1 C10 C18 -155.5(4) . . . . ? C3 Cr1 C10 C18 34.7(5) . . . . ? C21 N1 C22 C27 159.5(6) . . . . ? C21 N1 C22 C23 -20.0(8) . . . . ? C27 C22 C23 C24 -0.6(5) . . . . ? N1 C22 C23 C24 178.8(3) . . . . ? C27 C22 C23 C28 179.6(3) . . . . ? N1 C22 C23 C28 -1.0(5) . . . . ? C22 C23 C24 C25 1.0(5) . . . . ? C28 C23 C24 C25 -179.1(3) . . . . ? C23 C24 C25 C26 -0.5(5) . . . . ? C24 C25 C26 C27 -0.4(5) . . . . ? N1 C22 C27 C26 -179.8(3) . . . . ? C23 C22 C27 C26 -0.4(5) . . . . ? N1 C22 C27 C29 0.6(5) . . . . ? C23 C22 C27 C29 180.0(3) . . . . ? C25 C26 C27 C22 0.9(5) . . . . ? C25 C26 C27 C29 -179.5(3) . . . . ? _diffrn_measured_fraction_theta_max 0.995 _diffrn_reflns_theta_full 23.00 _diffrn_measured_fraction_theta_full 0.995 _refine_diff_density_max 0.172 _refine_diff_density_min -0.241 _refine_diff_density_rms 0.043 #===END data_complex11 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C54 H54 Cr N6' _chemical_formula_sum 'C54 H54 Cr N6' _chemical_formula_weight 839.03 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cr' 'Cr' 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 10.761(6) _cell_length_b 11.709(6) _cell_length_c 11.885(5) _cell_angle_alpha 108.78(4) _cell_angle_beta 102.63(5) _cell_angle_gamma 114.25(4) _cell_volume 1181.1(10) _cell_formula_units_Z 1 _cell_measurement_temperature 233 _cell_measurement_reflns_used 25 _cell_measurement_theta_min 14.201 _cell_measurement_theta_max 21.587 _exptl_crystal_description plates _exptl_crystal_colour red _exptl_crystal_size_max 0.2 _exptl_crystal_size_mid 0.1 _exptl_crystal_size_min 0.1 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.180 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 444 _exptl_absorpt_coefficient_mu 0.284 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; Due to the presence of a low temperature device not all data could be measured. ; _diffrn_ambient_temperature 233 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 3 _diffrn_standards_interval_count 97 _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 3313 _diffrn_reflns_av_R_equivalents 0.0623 _diffrn_reflns_av_sigmaI/netI 0.1343 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 10 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 2.15 _diffrn_reflns_theta_max 24.00 _reflns_number_total 3108 _reflns_number_gt 1523 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Siemens XSCANS' _computing_cell_refinement 'Siemens XSCANS' _computing_data_reduction 'Siemens XSCANS' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Siemens SHELXTL' _computing_publication_material 'Siemens SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0342P)^2^+0.7202P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3108 _refine_ls_number_parameters 283 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1733 _refine_ls_R_factor_gt 0.0728 _refine_ls_wR_factor_ref 0.1583 _refine_ls_wR_factor_gt 0.1218 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Cr1 Cr 0.0000 0.0000 0.0000 0.0522(5) Uani 1 2 d S . . N1 N -0.3115(7) -0.1265(6) -0.2115(5) 0.0614(16) Uani 1 1 d . . . N2 N -0.1533(6) -0.0638(5) 0.1815(5) 0.0678(17) Uani 1 1 d . . . N3 N 0.0029(5) 0.2805(6) 0.0992(5) 0.0553(15) Uani 1 1 d . . . C1 C -0.1928(7) -0.0822(6) -0.1331(6) 0.0536(18) Uani 1 1 d . . . C2 C -0.4563(7) -0.2097(8) -0.3045(6) 0.0505(16) Uani 1 1 d . . . C3 C -0.5261(10) -0.1464(9) -0.3477(8) 0.072(2) Uani 1 1 d . . . C4 C -0.6710(12) -0.2369(14) -0.4435(9) 0.109(3) Uani 1 1 d . . . H4A H -0.7245 -0.1998 -0.4757 0.130 Uiso 1 1 calc R . . C5 C -0.7360(12) -0.3817(16) -0.4912(11) 0.139(6) Uani 1 1 d . . . H5A H -0.8325 -0.4429 -0.5579 0.166 Uiso 1 1 calc R . . C6 C -0.6632(13) -0.4340(12) -0.4435(10) 0.137(5) Uani 1 1 d . . . H6A H -0.7114 -0.5325 -0.4753 0.165 Uiso 1 1 calc R . . C7 C -0.5234(9) -0.3531(9) -0.3515(7) 0.081(2) Uani 1 1 d . . . C8 C -0.4488(10) 0.0095(9) -0.2918(8) 0.128(3) Uani 1 1 d . . . H8A H -0.3440 0.0509 -0.2397 0.192 Uiso 1 1 calc R . . H8B H -0.4934 0.0443 -0.2374 0.192 Uiso 1 1 calc R . . H8C H -0.4582 0.0354 -0.3616 0.192 Uiso 1 1 calc R . . C9 C -0.4415(11) -0.4165(8) -0.3017(8) 0.146(4) Uani 1 1 d . . . H9A H -0.5070 -0.5183 -0.3427 0.218 Uiso 1 1 calc R . . H9B H -0.4101 -0.3783 -0.2082 0.218 Uiso 1 1 calc R . . H9C H -0.3546 -0.3937 -0.3222 0.218 Uiso 1 1 calc R . . C10 C -0.0941(7) -0.0407(6) 0.1132(6) 0.0565(18) Uani 1 1 d . . . C11 C -0.1975(6) -0.0708(6) 0.2784(6) 0.0437(15) Uani 1 1 d . . . C12 C -0.1137(7) 0.0458(7) 0.4014(7) 0.0637(19) Uani 1 1 d . . . C13 C -0.1508(11) 0.0362(10) 0.5003(8) 0.099(3) Uani 1 1 d . . . H13A H -0.0940 0.1143 0.5836 0.119 Uiso 1 1 calc R . . C14 C -0.2662(12) -0.0813(12) 0.4830(10) 0.099(3) Uani 1 1 d . . . H14A H -0.2855 -0.0841 0.5558 0.119 Uiso 1 1 calc R . . C15 C -0.3576(8) -0.1977(9) 0.3645(10) 0.082(2) Uani 1 1 d . . . H15A H -0.4411 -0.2773 0.3543 0.098 Uiso 1 1 calc R . . C16 C -0.3211(7) -0.1936(7) 0.2557(7) 0.0623(19) Uani 1 1 d . . . C17 C 0.0146(8) 0.1812(7) 0.4232(8) 0.116(3) Uani 1 1 d . . . H17A H 0.0656 0.2473 0.5153 0.173 Uiso 1 1 calc R . . H17B H -0.0228 0.2219 0.3756 0.173 Uiso 1 1 calc R . . H17C H 0.0838 0.1617 0.3927 0.173 Uiso 1 1 calc R . . C18 C -0.4120(8) -0.3139(7) 0.1228(8) 0.115(3) Uani 1 1 d . . . H18A H -0.3475 -0.3205 0.0787 0.173 Uiso 1 1 calc R . . H18B H -0.4843 -0.2992 0.0746 0.173 Uiso 1 1 calc R . . H18C H -0.4638 -0.4008 0.1282 0.173 Uiso 1 1 calc R . . C19 C 0.0050(6) 0.1758(7) 0.0620(6) 0.0508(18) Uani 1 1 d . . . C20 C -0.0393(7) 0.3789(8) 0.1339(5) 0.0539(17) Uani 1 1 d . . . C21 C 0.0586(8) 0.5172(8) 0.1606(6) 0.0604(18) Uani 1 1 d . . . C22 C 0.0115(10) 0.6120(8) 0.1922(6) 0.089(3) Uani 1 1 d . . . H22A H 0.0733 0.7057 0.2095 0.107 Uiso 1 1 calc R . . C23 C -0.1253(12) 0.5699(12) 0.1986(7) 0.108(3) Uani 1 1 d . . . H23A H -0.1548 0.6363 0.2215 0.129 Uiso 1 1 calc R . . C24 C -0.2195(9) 0.4345(12) 0.1725(7) 0.101(3) Uani 1 1 d . . . H24A H -0.3130 0.4082 0.1764 0.121 Uiso 1 1 calc R . . C25 C -0.1771(8) 0.3371(9) 0.1405(6) 0.069(2) Uani 1 1 d . . . C26 C 0.2068(7) 0.5592(6) 0.1563(6) 0.079(2) Uani 1 1 d . . . H26A H 0.2508 0.6519 0.1602 0.119 Uiso 1 1 calc R . . H26B H 0.1955 0.4910 0.0761 0.119 Uiso 1 1 calc R . . H26C H 0.2711 0.5620 0.2299 0.119 Uiso 1 1 calc R . . C27 C -0.2800(8) 0.1868(9) 0.1118(7) 0.103(3) Uani 1 1 d . . . H27A H -0.3767 0.1730 0.1071 0.154 Uiso 1 1 calc R . . H27B H -0.2378 0.1691 0.1805 0.154 Uiso 1 1 calc R . . H27C H -0.2917 0.1219 0.0294 0.154 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Cr1 0.0478(10) 0.0586(11) 0.0544(10) 0.0261(9) 0.0287(9) 0.0273(9) N1 0.056(4) 0.073(4) 0.065(4) 0.034(3) 0.031(3) 0.037(4) N2 0.075(4) 0.091(5) 0.070(4) 0.052(4) 0.049(4) 0.050(4) N3 0.052(3) 0.062(4) 0.055(4) 0.025(3) 0.023(3) 0.032(3) C1 0.062(5) 0.057(5) 0.061(5) 0.034(4) 0.038(4) 0.036(4) C2 0.041(4) 0.058(5) 0.048(4) 0.027(4) 0.021(4) 0.018(4) C3 0.086(6) 0.101(7) 0.075(6) 0.054(5) 0.052(5) 0.065(6) C4 0.100(9) 0.205(11) 0.075(7) 0.078(8) 0.046(7) 0.109(9) C5 0.070(8) 0.189(14) 0.072(8) 0.040(9) 0.015(6) 0.021(9) C6 0.109(10) 0.107(9) 0.085(8) 0.037(7) 0.017(7) -0.016(8) C7 0.084(6) 0.059(6) 0.062(5) 0.029(5) 0.021(5) 0.011(5) C8 0.197(10) 0.111(8) 0.132(8) 0.063(7) 0.074(7) 0.118(8) C9 0.243(12) 0.083(6) 0.124(8) 0.062(6) 0.050(8) 0.097(8) C10 0.055(4) 0.066(5) 0.054(4) 0.030(4) 0.025(4) 0.033(4) C11 0.046(4) 0.045(4) 0.054(4) 0.031(4) 0.029(3) 0.025(3) C12 0.070(5) 0.071(5) 0.057(5) 0.031(4) 0.024(4) 0.044(4) C13 0.134(8) 0.105(8) 0.080(6) 0.039(6) 0.044(6) 0.083(7) C14 0.135(9) 0.125(9) 0.106(8) 0.083(7) 0.075(7) 0.088(8) C15 0.061(5) 0.086(6) 0.151(8) 0.091(6) 0.060(6) 0.045(5) C16 0.057(5) 0.056(5) 0.086(6) 0.040(4) 0.025(4) 0.037(4) C17 0.074(6) 0.055(5) 0.134(7) 0.022(5) -0.003(5) 0.005(5) C18 0.069(5) 0.059(5) 0.137(8) 0.012(5) -0.011(5) 0.020(4) C19 0.046(4) 0.060(5) 0.058(4) 0.031(4) 0.030(3) 0.029(4) C20 0.054(5) 0.076(6) 0.042(4) 0.020(4) 0.024(3) 0.046(5) C21 0.064(5) 0.046(5) 0.049(4) 0.005(3) 0.007(4) 0.031(5) C22 0.081(6) 0.069(6) 0.072(5) 0.001(4) -0.005(5) 0.043(5) C23 0.102(8) 0.130(9) 0.063(6) -0.004(6) 0.002(6) 0.088(7) C24 0.069(6) 0.150(9) 0.069(6) 0.016(6) 0.022(5) 0.075(7) C25 0.060(5) 0.094(6) 0.043(4) 0.017(4) 0.020(4) 0.043(5) C26 0.062(5) 0.062(5) 0.089(5) 0.032(4) 0.017(4) 0.020(4) C27 0.063(5) 0.147(8) 0.099(6) 0.060(6) 0.044(5) 0.046(6) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Cr1 C10 1.917(6) 2 ? Cr1 C10 1.917(6) . ? Cr1 C1 1.917(7) . ? Cr1 C1 1.917(7) 2 ? Cr1 C19 1.923(7) . ? Cr1 C19 1.923(7) 2 ? N1 C1 1.180(7) . ? N1 C2 1.380(7) . ? N2 C10 1.168(6) . ? N2 C11 1.352(7) . ? N3 C19 1.173(7) . ? N3 C20 1.382(8) . ? C2 C7 1.369(9) . ? C2 C3 1.383(9) . ? C3 C4 1.393(11) . ? C3 C8 1.482(9) . ? C4 C5 1.386(13) . ? C4 H4A 0.9400 . ? C5 C6 1.316(14) . ? C5 H5A 0.9400 . ? C6 C7 1.342(11) . ? C6 H6A 0.9400 . ? C7 C9 1.507(10) . ? C8 H8A 0.9700 . ? C8 H8B 0.9700 . ? C8 H8C 0.9700 . ? C9 H9A 0.9700 . ? C9 H9B 0.9700 . ? C9 H9C 0.9700 . ? C11 C16 1.390(8) . ? C11 C12 1.393(8) . ? C12 C13 1.343(9) . ? C12 C17 1.507(9) . ? C13 C14 1.335(10) . ? C13 H13A 0.9400 . ? C14 C15 1.366(10) . ? C14 H14A 0.9400 . ? C15 C16 1.441(9) . ? C15 H15A 0.9400 . ? C16 C18 1.482(9) . ? C17 H17A 0.9700 . ? C17 H17B 0.9700 . ? C17 H17C 0.9700 . ? C18 H18A 0.9700 . ? C18 H18B 0.9700 . ? C18 H18C 0.9700 . ? C20 C25 1.387(8) . ? C20 C21 1.398(8) . ? C21 C22 1.380(9) . ? C21 C26 1.482(8) . ? C22 C23 1.376(10) . ? C22 H22A 0.9400 . ? C23 C24 1.365(11) . ? C23 H23A 0.9400 . ? C24 C25 1.370(10) . ? C24 H24A 0.9400 . ? C25 C27 1.512(9) . ? C26 H26A 0.9700 . ? C26 H26B 0.9700 . ? C26 H26C 0.9700 . ? C27 H27A 0.9700 . ? C27 H27B 0.9700 . ? C27 H27C 0.9700 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C10 Cr1 C10 180.0(6) 2 . ? C10 Cr1 C1 90.9(2) 2 . ? C10 Cr1 C1 89.1(2) . . ? C10 Cr1 C1 89.1(2) 2 2 ? C10 Cr1 C1 90.9(2) . 2 ? C1 Cr1 C1 180.0(4) . 2 ? C10 Cr1 C19 93.0(2) 2 . ? C10 Cr1 C19 87.0(2) . . ? C1 Cr1 C19 87.7(3) . . ? C1 Cr1 C19 92.3(3) 2 . ? C10 Cr1 C19 87.0(2) 2 2 ? C10 Cr1 C19 93.0(2) . 2 ? C1 Cr1 C19 92.3(3) . 2 ? C1 Cr1 C19 87.7(3) 2 2 ? C19 Cr1 C19 180.0(4) . 2 ? C1 N1 C2 165.8(7) . . ? C10 N2 C11 169.5(6) . . ? C19 N3 C20 164.6(6) . . ? N1 C1 Cr1 176.5(6) . . ? C7 C2 N1 117.7(7) . . ? C7 C2 C3 123.0(7) . . ? N1 C2 C3 119.4(7) . . ? C2 C3 C4 116.3(8) . . ? C2 C3 C8 120.6(8) . . ? C4 C3 C8 123.1(9) . . ? C5 C4 C3 119.8(10) . . ? C5 C4 H4A 120.1 . . ? C3 C4 H4A 120.1 . . ? C6 C5 C4 120.3(12) . . ? C6 C5 H5A 119.8 . . ? C4 C5 H5A 119.8 . . ? C5 C6 C7 122.9(13) . . ? C5 C6 H6A 118.5 . . ? C7 C6 H6A 118.5 . . ? C6 C7 C2 117.6(9) . . ? C6 C7 C9 121.7(10) . . ? C2 C7 C9 120.7(8) . . ? C3 C8 H8A 109.5 . . ? C3 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C3 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? N2 C10 Cr1 178.2(6) . . ? N2 C11 C16 120.3(6) . . ? N2 C11 C12 118.5(6) . . ? C16 C11 C12 121.3(6) . . ? C13 C12 C11 118.8(7) . . ? C13 C12 C17 120.4(8) . . ? C11 C12 C17 120.8(7) . . ? C14 C13 C12 121.6(8) . . ? C14 C13 H13A 119.2 . . ? C12 C13 H13A 119.2 . . ? C13 C14 C15 123.0(8) . . ? C13 C14 H14A 118.5 . . ? C15 C14 H14A 118.5 . . ? C14 C15 C16 117.4(7) . . ? C14 C15 H15A 121.3 . . ? C16 C15 H15A 121.3 . . ? C11 C16 C15 117.7(6) . . ? C11 C16 C18 120.2(7) . . ? C15 C16 C18 122.1(7) . . ? C12 C17 H17A 109.5 . . ? C12 C17 H17B 109.5 . . ? H17A C17 H17B 109.5 . . ? C12 C17 H17C 109.5 . . ? H17A C17 H17C 109.5 . . ? H17B C17 H17C 109.5 . . ? C16 C18 H18A 109.5 . . ? C16 C18 H18B 109.5 . . ? H18A C18 H18B 109.5 . . ? C16 C18 H18C 109.5 . . ? H18A C18 H18C 109.5 . . ? H18B C18 H18C 109.5 . . ? N3 C19 Cr1 177.7(5) . . ? N3 C20 C25 119.0(7) . . ? N3 C20 C21 118.6(6) . . ? C25 C20 C21 122.3(7) . . ? C22 C21 C20 117.1(7) . . ? C22 C21 C26 122.0(7) . . ? C20 C21 C26 120.9(6) . . ? C23 C22 C21 120.3(8) . . ? C23 C22 H22A 119.9 . . ? C21 C22 H22A 119.9 . . ? C24 C23 C22 121.9(9) . . ? C24 C23 H23A 119.0 . . ? C22 C23 H23A 119.0 . . ? C23 C24 C25 119.6(9) . . ? C23 C24 H24A 120.2 . . ? C25 C24 H24A 120.2 . . ? C24 C25 C20 118.7(8) . . ? C24 C25 C27 120.3(8) . . ? C20 C25 C27 121.0(7) . . ? C21 C26 H26A 109.5 . . ? C21 C26 H26B 109.5 . . ? H26A C26 H26B 109.5 . . ? C21 C26 H26C 109.5 . . ? H26A C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? C25 C27 H27A 109.5 . . ? C25 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? C25 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C2 N1 C1 Cr1 -144(8) . . . . ? C10 Cr1 C1 N1 -105(9) 2 . . . ? C10 Cr1 C1 N1 75(9) . . . . ? C1 Cr1 C1 N1 91(71) 2 . . . ? C19 Cr1 C1 N1 -12(9) . . . . ? C19 Cr1 C1 N1 168(9) 2 . . . ? C1 N1 C2 C7 -6(3) . . . . ? C1 N1 C2 C3 175(2) . . . . ? C7 C2 C3 C4 -0.1(9) . . . . ? N1 C2 C3 C4 178.7(6) . . . . ? C7 C2 C3 C8 179.1(6) . . . . ? N1 C2 C3 C8 -2.1(9) . . . . ? C2 C3 C4 C5 -0.9(12) . . . . ? C8 C3 C4 C5 179.9(9) . . . . ? C3 C4 C5 C6 2.2(16) . . . . ? C4 C5 C6 C7 -2.4(19) . . . . ? C5 C6 C7 C2 1.4(15) . . . . ? C5 C6 C7 C9 -178.1(10) . . . . ? N1 C2 C7 C6 -178.9(7) . . . . ? C3 C2 C7 C6 -0.1(10) . . . . ? N1 C2 C7 C9 0.6(9) . . . . ? C3 C2 C7 C9 179.4(6) . . . . ? C11 N2 C10 Cr1 -104(19) . . . . ? C10 Cr1 C10 N2 164(100) 2 . . . ? C1 Cr1 C10 N2 -52(20) . . . . ? C1 Cr1 C10 N2 128(20) 2 . . . ? C19 Cr1 C10 N2 36(20) . . . . ? C19 Cr1 C10 N2 -144(20) 2 . . . ? C10 N2 C11 C16 -159(3) . . . . ? C10 N2 C11 C12 19(4) . . . . ? N2 C11 C12 C13 -175.5(6) . . . . ? C16 C11 C12 C13 2.6(10) . . . . ? N2 C11 C12 C17 5.5(9) . . . . ? C16 C11 C12 C17 -176.4(6) . . . . ? C11 C12 C13 C14 -0.7(12) . . . . ? C17 C12 C13 C14 178.3(7) . . . . ? C12 C13 C14 C15 -2.3(14) . . . . ? C13 C14 C15 C16 3.2(12) . . . . ? N2 C11 C16 C15 176.5(5) . . . . ? C12 C11 C16 C15 -1.5(9) . . . . ? N2 C11 C16 C18 -4.6(9) . . . . ? C12 C11 C16 C18 177.4(6) . . . . ? C14 C15 C16 C11 -1.3(10) . . . . ? C14 C15 C16 C18 179.8(7) . . . . ? C20 N3 C19 Cr1 -3(15) . . . . ? C10 Cr1 C19 N3 132(14) 2 . . . ? C10 Cr1 C19 N3 -48(14) . . . . ? C1 Cr1 C19 N3 41(14) . . . . ? C1 Cr1 C19 N3 -139(14) 2 . . . ? C19 Cr1 C19 N3 -54(71) 2 . . . ? C19 N3 C20 C25 12(2) . . . . ? C19 N3 C20 C21 -168(2) . . . . ? N3 C20 C21 C22 178.6(5) . . . . ? C25 C20 C21 C22 -1.1(9) . . . . ? N3 C20 C21 C26 -2.1(9) . . . . ? C25 C20 C21 C26 178.2(6) . . . . ? C20 C21 C22 C23 1.0(10) . . . . ? C26 C21 C22 C23 -178.2(7) . . . . ? C21 C22 C23 C24 -0.9(12) . . . . ? C22 C23 C24 C25 0.9(13) . . . . ? C23 C24 C25 C20 -0.9(11) . . . . ? C23 C24 C25 C27 179.8(7) . . . . ? N3 C20 C25 C24 -178.7(6) . . . . ? C21 C20 C25 C24 1.0(10) . . . . ? N3 C20 C25 C27 0.6(9) . . . . ? C21 C20 C25 C27 -179.6(6) . . . . ? _diffrn_measured_fraction_theta_max 0.837 _diffrn_reflns_theta_full 24.00 _diffrn_measured_fraction_theta_full 0.837 _refine_diff_density_max 0.215 _refine_diff_density_min -0.212 _refine_diff_density_rms 0.050