data_p1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C27 H52 Mo N P3 Si' _chemical_formula_sum 'C27 H52 Mo N P3 Si' _chemical_formula_weight 607.64 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' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Mo' 'Mo' -1.6832 0.6857 '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 8.9866(2) _cell_length_b 10.0238(2) _cell_length_c 20.0398(5) _cell_angle_alpha 90.6070(10) _cell_angle_beta 99.7140(10) _cell_angle_gamma 112.5150(10) _cell_volume 1638.06(6) _cell_formula_units_Z 2 _cell_measurement_temperature 120(2) _cell_measurement_reflns_used 8643 _cell_measurement_theta_min 2.359 _cell_measurement_theta_max 30.146 _exptl_crystal_description block _exptl_crystal_colour orange _exptl_crystal_size_max 0.38 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.14 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.232 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 644 _exptl_absorpt_coefficient_mu 0.599 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.8045 _exptl_absorpt_correction_T_max 0.9209 _exptl_absorpt_process_details 'SADABS (Bruker, 2004)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 120(2) _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 SMART-1K' _diffrn_measurement_method /w _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 11687 _diffrn_reflns_av_R_equivalents 0.0182 _diffrn_reflns_av_sigmaI/netI 0.0354 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -13 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_limit_l_max 26 _diffrn_reflns_theta_min 1.03 _diffrn_reflns_theta_max 27.99 _reflns_number_total 7739 _reflns_number_gt 6805 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _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^)+(0.0307P)^2^+1.1189P] 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 7739 _refine_ls_number_parameters 306 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0385 _refine_ls_R_factor_gt 0.0310 _refine_ls_wR_factor_ref 0.0739 _refine_ls_wR_factor_gt 0.0713 _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_restrained_S_all 1.027 _refine_ls_shift/su_max 0.001 _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 Mo1 Mo 0.07112(2) 0.737471(17) 0.263570(8) 0.01452(5) Uani 1 1 d . . . Si1 Si 0.09372(8) 0.99348(6) 0.27533(3) 0.02563(13) Uani 1 1 d . . . P1 P -0.17854(6) 0.70477(6) 0.18034(3) 0.02108(11) Uani 1 1 d . . . P2 P -0.07812(6) 0.52041(6) 0.31927(3) 0.01971(11) Uani 1 1 d . . . P3 P 0.31700(6) 0.80875(6) 0.35559(3) 0.02189(11) Uani 1 1 d . . . N1 N 0.17084(19) 0.71978(17) 0.19476(8) 0.0161(3) Uani 1 1 d . . . C1 C 0.2358(2) 0.7097(2) 0.13708(10) 0.0162(4) Uani 1 1 d . . . C2 C 0.2116(2) 0.5707(2) 0.10823(10) 0.0187(4) Uani 1 1 d . . . C3 C 0.2844(3) 0.5622(2) 0.05288(11) 0.0240(4) Uani 1 1 d . . . H3A H 0.2684 0.4698 0.0334 0.029 Uiso 1 1 calc R . . C4 C 0.3795(3) 0.6859(2) 0.02585(11) 0.0249(4) Uani 1 1 d . . . H4A H 0.4296 0.6782 -0.0113 0.030 Uiso 1 1 calc R . . C5 C 0.4011(3) 0.8208(2) 0.05329(11) 0.0239(4) Uani 1 1 d . . . H5A H 0.4660 0.9051 0.0343 0.029 Uiso 1 1 calc R . . C6 C 0.3303(3) 0.8364(2) 0.10801(10) 0.0208(4) Uani 1 1 d . . . C7 C 0.1180(3) 0.4346(2) 0.13995(12) 0.0236(4) Uani 1 1 d . . . H7A H 0.0437 0.4572 0.1660 0.028 Uiso 1 1 calc R . . C8 C 0.0114(3) 0.3059(2) 0.08790(14) 0.0351(5) Uani 1 1 d . . . H8A H 0.0821 0.2703 0.0673 0.053 Uiso 1 1 calc R . . H8B H -0.0548 0.3371 0.0525 0.053 Uiso 1 1 calc R . . H8C H -0.0610 0.2281 0.1107 0.053 Uiso 1 1 calc R . . C9 C 0.2398(3) 0.3950(3) 0.19071(13) 0.0318(5) Uani 1 1 d . . . H9C H 0.1808 0.3041 0.2097 0.048 Uiso 1 1 calc R . . H9A H 0.2943 0.4724 0.2275 0.048 Uiso 1 1 calc R . . H9B H 0.3219 0.3831 0.1674 0.048 Uiso 1 1 calc R . . C10 C 0.3570(3) 0.9873(2) 0.13498(13) 0.0325(5) Uani 1 1 d . . . H10A H 0.3011 0.9779 0.1748 0.039 Uiso 1 1 calc R . . C11 C 0.5405(4) 1.0818(3) 0.15919(15) 0.0460(7) Uani 1 1 d . . . H11C H 0.5930 1.0263 0.1869 0.069 Uiso 1 1 calc R . . H11A H 0.5521 1.1683 0.1864 0.069 Uiso 1 1 calc R . . H11B H 0.5930 1.1111 0.1197 0.069 Uiso 1 1 calc R . . C12 C 0.2812(3) 1.0620(3) 0.08133(16) 0.0430(7) Uani 1 1 d . . . H12A H 0.3406 1.0800 0.0434 0.064 Uiso 1 1 calc R . . H12B H 0.2887 1.1543 0.1016 0.064 Uiso 1 1 calc R . . H12C H 0.1658 0.9995 0.0647 0.064 Uiso 1 1 calc R . . C13 C 0.1525(3) 1.1082(2) 0.35976(11) 0.0242(4) Uani 1 1 d . . . C14 C 0.0460(3) 1.0825(2) 0.40565(12) 0.0298(5) Uani 1 1 d . . . H14A H -0.0569 1.0026 0.3958 0.036 Uiso 1 1 calc R . . C15 C 0.0861(3) 1.1707(3) 0.46564(13) 0.0381(6) Uani 1 1 d . . . H15A H 0.0102 1.1518 0.4956 0.046 Uiso 1 1 calc R . . C16 C 0.2373(4) 1.2864(3) 0.48154(13) 0.0415(6) Uani 1 1 d . . . H16A H 0.2665 1.3459 0.5227 0.050 Uiso 1 1 calc R . . C17 C 0.3442(3) 1.3137(3) 0.43696(15) 0.0399(6) Uani 1 1 d . . . H17A H 0.4478 1.3926 0.4473 0.048 Uiso 1 1 calc R . . C18 C 0.3016(3) 1.2266(3) 0.37686(13) 0.0327(5) Uani 1 1 d . . . H18A H 0.3765 1.2485 0.3464 0.039 Uiso 1 1 calc R . . C19 C -0.3472(3) 0.7338(3) 0.20820(13) 0.0323(5) Uani 1 1 d . . . H19C H -0.4007 0.6555 0.2357 0.048 Uiso 1 1 calc R . . H19A H -0.4268 0.7348 0.1684 0.048 Uiso 1 1 calc R . . H19B H -0.3048 0.8269 0.2355 0.048 Uiso 1 1 calc R . . C20 C -0.1424(3) 0.8185(3) 0.10965(12) 0.0326(5) Uani 1 1 d . . . H20A H -0.1053 0.9203 0.1264 0.049 Uiso 1 1 calc R . . H20B H -0.2444 0.7911 0.0762 0.049 Uiso 1 1 calc R . . H20C H -0.0582 0.8053 0.0883 0.049 Uiso 1 1 calc R . . C21 C -0.2843(3) 0.5280(3) 0.13106(12) 0.0318(5) Uani 1 1 d . . . H21C H -0.3250 0.4524 0.1618 0.048 Uiso 1 1 calc R . . H21A H -0.2076 0.5074 0.1074 0.048 Uiso 1 1 calc R . . H21B H -0.3766 0.5299 0.0978 0.048 Uiso 1 1 calc R . . C22 C -0.0707(3) 0.3503(2) 0.28906(13) 0.0326(5) Uani 1 1 d . . . H22A H -0.1292 0.2723 0.3156 0.049 Uiso 1 1 calc R . . H22B H 0.0438 0.3609 0.2944 0.049 Uiso 1 1 calc R . . H22C H -0.1227 0.3268 0.2410 0.049 Uiso 1 1 calc R . . C23 C -0.2999(3) 0.4625(3) 0.31633(13) 0.0335(5) Uani 1 1 d . . . H23C H -0.3386 0.3768 0.3418 0.050 Uiso 1 1 calc R . . H23A H -0.3576 0.4387 0.2690 0.050 Uiso 1 1 calc R . . H23B H -0.3215 0.5411 0.3366 0.050 Uiso 1 1 calc R . . C26 C 0.4100(3) 0.6747(3) 0.36848(13) 0.0327(5) Uani 1 1 d . . . H26B H 0.3311 0.5856 0.3821 0.049 Uiso 1 1 calc R . . H26C H 0.5082 0.7135 0.4042 0.049 Uiso 1 1 calc R . . H26A H 0.4403 0.6534 0.3261 0.049 Uiso 1 1 calc R . . C24 C -0.0211(3) 0.5122(3) 0.41133(12) 0.0326(5) Uani 1 1 d . . . H24C H -0.0461 0.5837 0.4359 0.049 Uiso 1 1 calc R . . H24A H 0.0964 0.5334 0.4232 0.049 Uiso 1 1 calc R . . H24B H -0.0835 0.4150 0.4238 0.049 Uiso 1 1 calc R . . C25 C 0.3099(3) 0.8593(3) 0.44273(12) 0.0318(5) Uani 1 1 d . . . H25A H 0.2246 0.7796 0.4594 0.048 Uiso 1 1 calc R . . H25B H 0.2849 0.9462 0.4435 0.048 Uiso 1 1 calc R . . H25C H 0.4164 0.8792 0.4719 0.048 Uiso 1 1 calc R . . C27 C 0.4959(3) 0.9636(3) 0.33990(15) 0.0368(6) Uani 1 1 d . . . H27A H 0.4699 1.0500 0.3371 0.055 Uiso 1 1 calc R . . H27B H 0.5248 0.9429 0.2970 0.055 Uiso 1 1 calc R . . H27C H 0.5887 0.9805 0.3772 0.055 Uiso 1 1 calc R . . H2 H 0.217(3) 1.092(3) 0.2417(14) 0.040(8) Uiso 1 1 d . . . H3 H -0.051(4) 1.018(3) 0.2437(15) 0.048(8) Uiso 1 1 d . . . H1 H -0.0496 0.7841 0.3241 0.050 Uiso 1 1 d . . . 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 Mo1 0.01440(8) 0.01431(8) 0.01525(8) 0.00106(5) 0.00276(6) 0.00604(6) Si1 0.0348(3) 0.0198(3) 0.0251(3) 0.0012(2) 0.0061(3) 0.0136(3) P1 0.0194(2) 0.0278(3) 0.0176(2) 0.0003(2) 0.00148(19) 0.0118(2) P2 0.0190(2) 0.0201(2) 0.0195(3) 0.00367(19) 0.0054(2) 0.0061(2) P3 0.0176(2) 0.0230(3) 0.0233(3) -0.0011(2) -0.0005(2) 0.0078(2) N1 0.0145(7) 0.0151(7) 0.0181(8) 0.0018(6) 0.0018(6) 0.0056(6) C1 0.0146(8) 0.0186(9) 0.0170(9) 0.0020(7) 0.0023(7) 0.0085(7) C2 0.0170(9) 0.0175(9) 0.0220(10) -0.0002(7) 0.0014(7) 0.0080(7) C3 0.0267(11) 0.0232(10) 0.0232(10) -0.0036(8) 0.0036(8) 0.0118(9) C4 0.0284(11) 0.0304(11) 0.0191(10) 0.0003(8) 0.0077(8) 0.0137(9) C5 0.0277(11) 0.0234(10) 0.0227(10) 0.0054(8) 0.0094(8) 0.0104(9) C6 0.0247(10) 0.0182(9) 0.0208(10) 0.0032(7) 0.0057(8) 0.0092(8) C7 0.0220(10) 0.0158(9) 0.0340(12) 0.0015(8) 0.0092(9) 0.0067(8) C8 0.0283(12) 0.0223(11) 0.0484(15) -0.0047(10) 0.0040(11) 0.0044(9) C9 0.0380(13) 0.0248(11) 0.0346(13) 0.0097(9) 0.0085(10) 0.0134(10) C10 0.0478(14) 0.0177(10) 0.0369(13) 0.0056(9) 0.0278(11) 0.0099(10) C11 0.0637(19) 0.0212(12) 0.0393(15) -0.0023(10) 0.0066(13) 0.0027(12) C12 0.0437(15) 0.0263(12) 0.073(2) 0.0163(12) 0.0306(14) 0.0206(11) C13 0.0289(11) 0.0196(10) 0.0287(11) 0.0015(8) 0.0067(9) 0.0139(9) C14 0.0289(12) 0.0243(11) 0.0360(13) 0.0029(9) 0.0082(10) 0.0093(9) C15 0.0488(15) 0.0453(15) 0.0330(13) 0.0066(11) 0.0167(12) 0.0285(13) C16 0.0585(17) 0.0387(14) 0.0316(13) -0.0132(11) -0.0088(12) 0.0314(13) C17 0.0322(13) 0.0238(11) 0.0561(17) -0.0086(11) -0.0071(12) 0.0091(10) C18 0.0302(12) 0.0271(11) 0.0424(14) 0.0025(10) 0.0097(10) 0.0119(10) C19 0.0243(11) 0.0455(14) 0.0341(13) 0.0033(10) 0.0053(9) 0.0212(11) C20 0.0341(12) 0.0386(13) 0.0254(12) 0.0080(10) 0.0024(10) 0.0156(11) C21 0.0293(12) 0.0329(12) 0.0301(12) -0.0049(10) -0.0026(10) 0.0123(10) C22 0.0418(14) 0.0212(10) 0.0369(13) 0.0066(9) 0.0180(11) 0.0103(10) C23 0.0217(11) 0.0379(13) 0.0385(13) 0.0125(11) 0.0121(10) 0.0062(10) C26 0.0273(11) 0.0373(13) 0.0371(13) -0.0009(10) -0.0032(10) 0.0204(10) C24 0.0354(13) 0.0357(13) 0.0241(11) 0.0101(9) 0.0074(10) 0.0101(10) C25 0.0330(12) 0.0347(12) 0.0252(12) -0.0056(9) -0.0033(9) 0.0142(10) C27 0.0200(11) 0.0333(13) 0.0511(16) 0.0010(11) 0.0026(10) 0.0057(10) _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 Mo1 N1 1.8081(16) . ? Mo1 P1 2.4669(5) . ? Mo1 P2 2.4699(5) . ? Mo1 P3 2.4862(5) . ? Mo1 Si1 2.5008(6) . ? Mo1 H1 1.9202 . ? Si1 C13 1.912(2) . ? Si1 H2 1.44(3) . ? Si1 H3 1.46(3) . ? P1 C19 1.820(2) . ? P1 C20 1.822(2) . ? P1 C21 1.837(2) . ? P2 C22 1.832(2) . ? P2 C23 1.840(2) . ? P2 C24 1.841(2) . ? P3 C25 1.831(2) . ? P3 C27 1.834(2) . ? P3 C26 1.834(2) . ? N1 C1 1.399(2) . ? C1 C6 1.425(3) . ? C1 C2 1.425(3) . ? C2 C3 1.397(3) . ? C2 C7 1.514(3) . ? C3 C4 1.386(3) . ? C3 H3A 0.9500 . ? C4 C5 1.384(3) . ? C4 H4A 0.9500 . ? C5 C6 1.393(3) . ? C5 H5A 0.9500 . ? C6 C10 1.516(3) . ? C7 C9 1.535(3) . ? C7 C8 1.536(3) . ? C7 H7A 1.0000 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C10 C12 1.530(4) . ? C10 C11 1.541(4) . ? C10 H10A 1.0000 . ? C11 H11C 0.9800 . ? C11 H11A 0.9800 . ? C11 H11B 0.9800 . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 C18 1.393(3) . ? C13 C14 1.394(3) . ? C14 C15 1.394(3) . ? C14 H14A 0.9500 . ? C15 C16 1.390(4) . ? C15 H15A 0.9500 . ? C16 C17 1.374(4) . ? C16 H16A 0.9500 . ? C17 C18 1.388(4) . ? C17 H17A 0.9500 . ? C18 H18A 0.9500 . ? C19 H19C 0.9800 . ? C19 H19A 0.9800 . ? C19 H19B 0.9800 . ? C20 H20A 0.9800 . ? C20 H20B 0.9800 . ? C20 H20C 0.9800 . ? C21 H21C 0.9800 . ? C21 H21A 0.9800 . ? C21 H21B 0.9800 . ? C22 H22A 0.9800 . ? C22 H22B 0.9800 . ? C22 H22C 0.9800 . ? C23 H23C 0.9800 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C26 H26B 0.9800 . ? C26 H26C 0.9800 . ? C26 H26A 0.9800 . ? C24 H24C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C25 H25A 0.9800 . ? C25 H25B 0.9800 . ? C25 H25C 0.9800 . ? C27 H27A 0.9800 . ? C27 H27B 0.9800 . ? C27 H27C 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 N1 Mo1 P1 89.61(5) . . ? N1 Mo1 P2 119.66(5) . . ? P1 Mo1 P2 91.567(19) . . ? N1 Mo1 P3 96.84(5) . . ? P1 Mo1 P3 169.852(19) . . ? P2 Mo1 P3 92.020(19) . . ? N1 Mo1 Si1 108.24(5) . . ? P1 Mo1 Si1 83.18(2) . . ? P2 Mo1 Si1 131.78(2) . . ? P3 Mo1 Si1 87.36(2) . . ? N1 Mo1 H1 167.4 . . ? P1 Mo1 H1 81.6 . . ? P2 Mo1 H1 69.9 . . ? P3 Mo1 H1 90.7 . . ? Si1 Mo1 H1 61.9 . . ? C13 Si1 Mo1 124.68(7) . . ? C13 Si1 H2 97.8(11) . . ? Mo1 Si1 H2 113.3(11) . . ? C13 Si1 H3 100.7(11) . . ? Mo1 Si1 H3 115.6(12) . . ? H2 Si1 H3 100.9(16) . . ? C19 P1 C20 102.54(12) . . ? C19 P1 C21 102.07(12) . . ? C20 P1 C21 98.28(12) . . ? C19 P1 Mo1 119.71(8) . . ? C20 P1 Mo1 114.34(8) . . ? C21 P1 Mo1 116.79(8) . . ? C22 P2 C23 100.27(12) . . ? C22 P2 C24 99.24(12) . . ? C23 P2 C24 96.67(11) . . ? C22 P2 Mo1 115.96(8) . . ? C23 P2 Mo1 120.11(8) . . ? C24 P2 Mo1 120.40(8) . . ? C25 P3 C27 101.05(12) . . ? C25 P3 C26 102.00(11) . . ? C27 P3 C26 99.01(12) . . ? C25 P3 Mo1 121.44(8) . . ? C27 P3 Mo1 114.87(9) . . ? C26 P3 Mo1 115.16(8) . . ? C1 N1 Mo1 174.07(13) . . ? N1 C1 C6 121.03(17) . . ? N1 C1 C2 119.50(17) . . ? C6 C1 C2 119.44(17) . . ? C3 C2 C1 118.99(18) . . ? C3 C2 C7 120.36(18) . . ? C1 C2 C7 120.52(18) . . ? C4 C3 C2 121.32(19) . . ? C4 C3 H3A 119.3 . . ? C2 C3 H3A 119.3 . . ? C5 C4 C3 119.66(19) . . ? C5 C4 H4A 120.2 . . ? C3 C4 H4A 120.2 . . ? C4 C5 C6 121.75(19) . . ? C4 C5 H5A 119.1 . . ? C6 C5 H5A 119.1 . . ? C5 C6 C1 118.81(18) . . ? C5 C6 C10 119.02(18) . . ? C1 C6 C10 122.17(18) . . ? C2 C7 C9 109.00(17) . . ? C2 C7 C8 113.70(19) . . ? C9 C7 C8 110.74(18) . . ? C2 C7 H7A 107.7 . . ? C9 C7 H7A 107.7 . . ? C8 C7 H7A 107.7 . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9C 109.5 . . ? C7 C9 H9A 109.5 . . ? H9C C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9C C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C6 C10 C12 111.0(2) . . ? C6 C10 C11 111.8(2) . . ? C12 C10 C11 109.8(2) . . ? C6 C10 H10A 108.0 . . ? C12 C10 H10A 108.0 . . ? C11 C10 H10A 108.0 . . ? C10 C11 H11C 109.5 . . ? C10 C11 H11A 109.5 . . ? H11C C11 H11A 109.5 . . ? C10 C11 H11B 109.5 . . ? H11C C11 H11B 109.5 . . ? H11A C11 H11B 109.5 . . ? C10 C12 H12A 109.5 . . ? C10 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C10 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C18 C13 C14 116.6(2) . . ? C18 C13 Si1 121.31(18) . . ? C14 C13 Si1 122.01(17) . . ? C13 C14 C15 121.9(2) . . ? C13 C14 H14A 119.1 . . ? C15 C14 H14A 119.1 . . ? C16 C15 C14 119.9(2) . . ? C16 C15 H15A 120.1 . . ? C14 C15 H15A 120.1 . . ? C17 C16 C15 119.2(2) . . ? C17 C16 H16A 120.4 . . ? C15 C16 H16A 120.4 . . ? C16 C17 C18 120.3(2) . . ? C16 C17 H17A 119.8 . . ? C18 C17 H17A 119.8 . . ? C17 C18 C13 122.1(2) . . ? C17 C18 H18A 118.9 . . ? C13 C18 H18A 118.9 . . ? P1 C19 H19C 109.5 . . ? P1 C19 H19A 109.5 . . ? H19C C19 H19A 109.5 . . ? P1 C19 H19B 109.5 . . ? H19C C19 H19B 109.5 . . ? H19A C19 H19B 109.5 . . ? P1 C20 H20A 109.5 . . ? P1 C20 H20B 109.5 . . ? H20A C20 H20B 109.5 . . ? P1 C20 H20C 109.5 . . ? H20A C20 H20C 109.5 . . ? H20B C20 H20C 109.5 . . ? P1 C21 H21C 109.5 . . ? P1 C21 H21A 109.5 . . ? H21C C21 H21A 109.5 . . ? P1 C21 H21B 109.5 . . ? H21C C21 H21B 109.5 . . ? H21A C21 H21B 109.5 . . ? P2 C22 H22A 109.5 . . ? P2 C22 H22B 109.5 . . ? H22A C22 H22B 109.5 . . ? P2 C22 H22C 109.5 . . ? H22A C22 H22C 109.5 . . ? H22B C22 H22C 109.5 . . ? P2 C23 H23C 109.5 . . ? P2 C23 H23A 109.5 . . ? H23C C23 H23A 109.5 . . ? P2 C23 H23B 109.5 . . ? H23C C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? P3 C26 H26B 109.5 . . ? P3 C26 H26C 109.5 . . ? H26B C26 H26C 109.5 . . ? P3 C26 H26A 109.5 . . ? H26B C26 H26A 109.5 . . ? H26C C26 H26A 109.5 . . ? P2 C24 H24C 109.5 . . ? P2 C24 H24A 109.5 . . ? H24C C24 H24A 109.5 . . ? P2 C24 H24B 109.5 . . ? H24C C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? P3 C25 H25A 109.5 . . ? P3 C25 H25B 109.5 . . ? H25A C25 H25B 109.5 . . ? P3 C25 H25C 109.5 . . ? H25A C25 H25C 109.5 . . ? H25B C25 H25C 109.5 . . ? P3 C27 H27A 109.5 . . ? P3 C27 H27B 109.5 . . ? H27A C27 H27B 109.5 . . ? P3 C27 H27C 109.5 . . ? H27A C27 H27C 109.5 . . ? H27B C27 H27C 109.5 . . ? _diffrn_measured_fraction_theta_max 0.979 _diffrn_reflns_theta_full 27.99 _diffrn_measured_fraction_theta_full 0.979 _refine_diff_density_max 1.267 _refine_diff_density_min -0.413 _refine_diff_density_rms 0.067