 
data_a 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C28 H18 Bi2 N6 O17' 
_chemical_formula_weight          1128.44 
 
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' 
 'Bi'  'Bi'  -4.1077  10.2566 
 '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' 
 'O'  'O'   0.0106   0.0060 
 '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   ' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    11.662(4) 
_cell_length_b                    12.149(4) 
_cell_length_c                    12.858(8) 
_cell_angle_alpha                 104.876(5) 
_cell_angle_beta                  111.035(5) 
_cell_angle_gamma                 103.846(4) 
_cell_volume                      1528.4(12) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used    9767
_cell_measurement_theta_min        2.18
_cell_measurement_theta_max       28.38
 
_exptl_crystal_description        Block 
_exptl_crystal_colour             Yellow 
_exptl_crystal_size_max           0.24 
_exptl_crystal_size_mid           0.22 
_exptl_crystal_size_min           0.17 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.452 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1060 
_exptl_absorpt_coefficient_mu     11.594 
_exptl_absorpt_correction_type    Multi-scan
_exptl_absorpt_correction_T_min   0.1673 
_exptl_absorpt_correction_T_max   0.2432 
_exptl_absorpt_process_details    SADABS 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(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 APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             14709 
_diffrn_reflns_av_R_equivalents   0.0397 
_diffrn_reflns_av_sigmaI/netI     0.0423 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        14 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          1.83 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              5376 
_reflns_number_gt                 4812 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection      'Bruker APEX2'
_computing_cell_refinement      'Bruker SAINT'
_computing_data_reduction       'Bruker SAINT'  
_computing_structure_solution   'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics   'Bruker SHELXTL'
_computing_publication_material 'Bruker SHELXTL'
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0221P)²+1.7335P] where P=(Fo²+2Fc²)/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          5376 
_refine_ls_number_parameters      501 
_refine_ls_number_restraints      2 
_refine_ls_R_factor_all           0.0286 
_refine_ls_R_factor_gt            0.0243 
_refine_ls_wR_factor_ref          0.0616 
_refine_ls_wR_factor_gt           0.0602 
_refine_ls_goodness_of_fit_ref    1.028 
_refine_ls_restrained_S_all       1.029 
_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 
Bi1 Bi 0.152288(16) -0.171983(15) 0.335390(15) 0.02219(7) Uani 1 1 d . . . 
Bi2 Bi 0.200493(17) 0.229835(16) 0.040946(16) 0.02618(7) Uani 1 1 d . . . 
C1 C 0.4271(5) -0.2100(4) 0.4399(5) 0.0278(11) Uani 1 1 d . . . 
C2 C 0.3531(5) -0.2762(4) 0.4930(4) 0.0281(11) Uani 1 1 d . . . 
C3 C 0.4036(5) -0.3413(5) 0.5662(5) 0.0325(12) Uani 1 1 d . . . 
H3A H 0.4833 -0.3511 0.5776 0.039 Uiso 1 1 calc R . . 
C4 C 0.3313(5) -0.3886(5) 0.6191(5) 0.0328(12) Uani 1 1 d . . . 
H4A H 0.3613 -0.4331 0.6648 0.039 Uiso 1 1 calc R . . 
C5 C 0.2131(5) -0.3712(4) 0.6055(4) 0.0292(11) Uani 1 1 d . . . 
C6 C 0.1342(5) -0.4117(4) 0.6611(4) 0.0328(12) Uani 1 1 d . . . 
H6A H 0.1596 -0.4563 0.7082 0.039 Uiso 1 1 calc R . . 
C7 C 0.0247(5) -0.3876(5) 0.6477(5) 0.0340(12) Uani 1 1 d . . . 
H7A H -0.0240 -0.4158 0.6854 0.041 Uiso 1 1 calc R . . 
C8 C -0.0190(5) -0.3185(4) 0.5756(4) 0.0261(10) Uani 1 1 d . . . 
C9 C 0.0553(4) -0.2791(4) 0.5176(4) 0.0211(10) Uani 1 1 d . . . 
C10 C 0.1712(5) -0.3066(4) 0.5321(4) 0.0224(10) Uani 1 1 d . . . 
C11 C -0.1333(5) -0.2898(5) 0.5561(5) 0.0365(13) Uani 1 1 d . . . 
H11A H -0.1871 -0.3156 0.5906 0.044 Uiso 1 1 calc R . . 
C12 C -0.1643(5) -0.2230(5) 0.4854(5) 0.0322(12) Uani 1 1 d . . . 
H12A H -0.2394 -0.2035 0.4717 0.039 Uiso 1 1 calc R . . 
C13 C -0.0834(5) -0.1852(4) 0.4348(4) 0.0249(10) Uani 1 1 d . . . 
C14 C -0.1070(5) -0.1060(4) 0.3600(4) 0.0252(10) Uani 1 1 d . . . 
C15 C 0.2245(5) 0.0544(4) 0.2077(4) 0.0273(11) Uani 1 1 d . . . 
C16 C 0.3491(5) 0.0736(4) 0.1919(4) 0.0227(10) Uani 1 1 d . . . 
C17 C 0.4455(5) 0.0279(5) 0.2436(5) 0.0315(12) Uani 1 1 d . . . 
H17A H 0.4367 -0.0138 0.2934 0.038 Uiso 1 1 calc R . . 
C18 C 0.5530(5) 0.0452(5) 0.2203(4) 0.0319(12) Uani 1 1 d . . . 
H18A H 0.6171 0.0150 0.2544 0.038 Uiso 1 1 calc R . . 
C19 C 0.5667(5) 0.1078(4) 0.1459(4) 0.0249(10) Uani 1 1 d . . . 
C20 C 0.4674(4) 0.1529(4) 0.0989(4) 0.0228(10) Uani 1 1 d . . . 
C21 C 0.6739(5) 0.1291(5) 0.1141(5) 0.0328(12) Uani 1 1 d . . . 
H21A H 0.7406 0.1000 0.1441 0.039 Uiso 1 1 calc R . . 
C22 C 0.6791(5) 0.1916(5) 0.0406(5) 0.0371(13) Uani 1 1 d . . . 
H22A H 0.7499 0.2044 0.0217 0.045 Uiso 1 1 calc R . . 
C23 C 0.5799(5) 0.2375(4) -0.0080(5) 0.0289(11) Uani 1 1 d . . . 
C24 C 0.4726(4) 0.2174(4) 0.0205(4) 0.0236(10) Uani 1 1 d . . . 
C25 C 0.5787(5) 0.3008(5) -0.0862(5) 0.0432(14) Uani 1 1 d . . . 
H25A H 0.6458 0.3145 -0.1097 0.052 Uiso 1 1 calc R . . 
C26 C 0.4773(6) 0.3422(5) -0.1275(5) 0.0405(14) Uani 1 1 d . . . 
H26A H 0.4768 0.3855 -0.1776 0.049 Uiso 1 1 calc R . . 
C27 C 0.3751(5) 0.3187(5) -0.0937(4) 0.0311(12) Uani 1 1 d . . . 
C28 C 0.2629(6) 0.3636(5) -0.1330(5) 0.0370(13) Uani 1 1 d . . . 
N1 N 0.2393(4) -0.2642(3) 0.4762(3) 0.0222(8) Uani 1 1 d . . . 
N2 N 0.0235(4) -0.2133(3) 0.4501(3) 0.0228(8) Uani 1 1 d . . . 
N3 N 0.3620(4) 0.1364(3) 0.1226(3) 0.0220(8) Uani 1 1 d . . . 
N4 N 0.3725(4) 0.2558(4) -0.0231(3) 0.0241(9) Uani 1 1 d . . . 
N6 N 0.3714(5) 0.4406(4) 0.2638(4) 0.0360(10) Uani 1 1 d U . . 
N5 N -0.0355(5) 0.3274(5) 0.0003(5) 0.0424(12) Uani 1 1 d . . . 
O1 O 0.5468(4) -0.1878(3) 0.4802(4) 0.0442(10) Uani 1 1 d . . . 
O1W O 0.0277(5) -0.4053(4) 0.2272(4) 0.0445(10) Uani 1 1 d D . . 
O2 O 0.3600(3) -0.1769(3) 0.3592(3) 0.0372(9) Uani 1 1 d . . . 
O2W O 0.2892(4) -0.0106(3) 0.5107(3) 0.0281(8) Uani 1 1 d . . . 
O3 O -0.2028(3) -0.0750(3) 0.3396(3) 0.0357(9) Uani 1 1 d . . . 
O3W O 0.1047(4) 0.0315(4) -0.1220(4) 0.0342(9) Uani 1 1 d . . . 
O4 O -0.0202(4) -0.0767(4) 0.3233(3) 0.0396(9) Uani 1 1 d . . . 
O5 O 0.2160(4) 0.0082(3) 0.2810(3) 0.0393(9) Uani 1 1 d . . . 
O6 O 0.1380(4) 0.0863(4) 0.1426(4) 0.0410(10) Uani 1 1 d . . . 
O7 O 0.2604(5) 0.4246(4) -0.1945(4) 0.0604(13) Uani 1 1 d . . . 
O8 O 0.1753(4) 0.3304(4) -0.0989(4) 0.0556(12) Uani 1 1 d . . . 
O9 O 0.0681(4) 0.3770(4) 0.0965(4) 0.0586(12) Uani 1 1 d . . . 
O10 O -0.0576(4) 0.2219(4) -0.0701(4) 0.0552(11) Uani 1 1 d . . . 
O11 O -0.1133(4) 0.3790(5) -0.0257(5) 0.0710(15) Uani 1 1 d . . . 
O12 O 0.3809(5) 0.4185(4) 0.1738(5) 0.0653(14) Uani 1 1 d . . . 
O13 O 0.2997(5) 0.3614(6) 0.2805(5) 0.0796(16) Uani 1 1 d U . . 
O14 O 0.4465(8) 0.5395(6) 0.3513(6) 0.119(2) Uani 1 1 d . . . 
H2WB H 0.337(6) 0.044(5) 0.495(5) 0.034(15) Uiso 1 1 d . . . 
H2WA H 0.251(6) 0.005(6) 0.555(6) 0.050(19) Uiso 1 1 d . . . 
H3WA H 0.038(6) -0.002(6) -0.118(5) 0.044(19) Uiso 1 1 d . . . 
H1WB H 0.063(6) -0.448(5) 0.200(5) 0.053 Uiso 1 1 d D . . 
H1WA H -0.050(7) -0.396(6) 0.188(6) 0.06(2) Uiso 1 1 d . . . 
H3WB H 0.089(7) 0.052(7) -0.191(7) 0.08(2) Uiso 1 1 d . . . 
 
 
_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 
Bi1 O2W 2.263(4) . ? 
Bi1 O2 2.348(3) . ? 
Bi1 N1 2.414(4) . ? 
Bi1 O5 2.493(3) . ? 
Bi1 N2 2.508(4) . ? 
Bi1 O4 2.528(4) . ? 
Bi1 O1W 2.576(4) . ? 
Bi2 O12 2.387(5) . ? 
Bi2 O8 2.394(4) . ? 
Bi2 N4 2.412(4) . ? 
Bi2 O3W 2.426(4) . ? 
Bi2 N3 2.480(4) . ? 
Bi2 O6 2.555(3) . ? 
Bi2 O13 2.722(6) . ? 
Bi2 O9 2.748(4) . ? 
C1 O1 1.232(6) . ? 
C1 O2 1.278(6) . ? 
C1 C2 1.493(7) . ? 
C2 N1 1.317(6) . ? 
C2 C3 1.437(7) . ? 
C3 C4 1.373(7) . ? 
C3 H3A 0.9300 . ? 
C4 C5 1.400(7) . ? 
C4 H4A 0.9300 . ? 
C5 C10 1.407(6) . ? 
C5 C6 1.427(7) . ? 
C6 C7 1.338(7) . ? 
C6 H6A 0.9300 . ? 
C7 C8 1.445(7) . ? 
C7 H7A 0.9300 . ? 
C8 C9 1.409(6) . ? 
C8 C11 1.411(7) . ? 
C9 N2 1.340(6) . ? 
C9 C10 1.429(6) . ? 
C10 N1 1.347(6) . ? 
C11 C12 1.377(7) . ? 
C11 H11A 0.9300 . ? 
C12 C13 1.382(7) . ? 
C12 H12A 0.9300 . ? 
C13 N2 1.332(6) . ? 
C13 C14 1.529(6) . ? 
C14 O3 1.225(6) . ? 
C14 O4 1.277(6) . ? 
C15 O5 1.235(5) . ? 
C15 O6 1.271(6) . ? 
C15 C16 1.510(7) . ? 
C16 N3 1.337(6) . ? 
C16 C17 1.403(7) . ? 
C17 C18 1.371(7) . ? 
C17 H17A 0.9300 . ? 
C18 C19 1.395(7) . ? 
C18 H18A 0.9300 . ? 
C19 C20 1.406(6) . ? 
C19 C21 1.436(7) . ? 
C20 N3 1.352(6) . ? 
C20 C24 1.435(6) . ? 
C21 C22 1.365(7) . ? 
C21 H21A 0.9300 . ? 
C22 C23 1.417(7) . ? 
C22 H22A 0.9300 . ? 
C23 C24 1.410(6) . ? 
C23 C25 1.412(7) . ? 
C24 N4 1.349(6) . ? 
C25 C26 1.380(8) . ? 
C25 H25A 0.9300 . ? 
C26 C27 1.401(7) . ? 
C26 H26A 0.9300 . ? 
C27 N4 1.332(6) . ? 
C27 C28 1.508(7) . ? 
C28 O7 1.213(6) . ? 
C28 O8 1.270(7) . ? 
N6 O12 1.170(6) . ? 
N6 O13 1.234(6) . ? 
N6 O14 1.254(7) . ? 
N5 O11 1.221(6) . ? 
N5 O9 1.244(6) . ? 
N5 O10 1.268(6) . ? 
O1W H1WB 0.82(2) . ? 
O1W H1WA 0.91(7) . ? 
O2W H2WB 0.88(6) . ? 
O2W H2WA 0.86(7) . ? 
O3W H3WA 0.81(7) . ? 
O3W H3WB 0.95(8) . ? 
 
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 
O2W Bi1 O2 78.37(14) . . ? 
O2W Bi1 N1 75.87(13) . . ? 
O2 Bi1 N1 67.47(12) . . ? 
O2W Bi1 O5 73.48(13) . . ? 
O2 Bi1 O5 84.71(12) . . ? 
N1 Bi1 O5 142.02(13) . . ? 
O2W Bi1 N2 82.35(14) . . ? 
O2 Bi1 N2 132.02(12) . . ? 
N1 Bi1 N2 65.35(13) . . ? 
O5 Bi1 N2 130.48(13) . . ? 
O2W Bi1 O4 86.64(13) . . ? 
O2 Bi1 O4 156.09(12) . . ? 
N1 Bi1 O4 126.79(12) . . ? 
O5 Bi1 O4 73.15(12) . . ? 
N2 Bi1 O4 62.70(12) . . ? 
O2W Bi1 O1W 147.86(13) . . ? 
O2 Bi1 O1W 95.54(14) . . ? 
N1 Bi1 O1W 72.71(14) . . ? 
O5 Bi1 O1W 137.94(14) . . ? 
N2 Bi1 O1W 78.64(14) . . ? 
O4 Bi1 O1W 106.86(14) . . ? 
O12 Bi2 O8 82.81(18) . . ? 
O12 Bi2 N4 69.53(16) . . ? 
O8 Bi2 N4 66.27(13) . . ? 
O12 Bi2 O3W 151.12(16) . . ? 
O8 Bi2 O3W 90.88(16) . . ? 
N4 Bi2 O3W 82.11(14) . . ? 
O12 Bi2 N3 83.94(16) . . ? 
O8 Bi2 N3 132.16(13) . . ? 
N4 Bi2 N3 66.01(12) . . ? 
O3W Bi2 N3 79.56(13) . . ? 
O12 Bi2 O6 114.84(16) . . ? 
O8 Bi2 O6 159.35(15) . . ? 
N4 Bi2 O6 128.40(12) . . ? 
O3W Bi2 O6 78.47(14) . . ? 
N3 Bi2 O6 63.68(12) . . ? 
O12 Bi2 O13 47.72(16) . . ? 
O8 Bi2 O13 120.52(17) . . ? 
N4 Bi2 O13 111.01(15) . . ? 
O3W Bi2 O13 148.53(16) . . ? 
N3 Bi2 O13 80.26(16) . . ? 
O6 Bi2 O13 70.99(16) . . ? 
O12 Bi2 O9 79.28(17) . . ? 
O8 Bi2 O9 75.83(14) . . ? 
N4 Bi2 O9 132.94(14) . . ? 
O3W Bi2 O9 126.50(13) . . ? 
N3 Bi2 O9 145.06(13) . . ? 
O6 Bi2 O9 96.21(14) . . ? 
O13 Bi2 O9 65.76(16) . . ? 
O1 C1 O2 125.8(5) . . ? 
O1 C1 C2 118.0(5) . . ? 
O2 C1 C2 116.1(4) . . ? 
N1 C2 C3 120.3(4) . . ? 
N1 C2 C1 115.4(4) . . ? 
C3 C2 C1 124.1(4) . . ? 
C4 C3 C2 118.4(5) . . ? 
C4 C3 H3A 120.8 . . ? 
C2 C3 H3A 120.8 . . ? 
C3 C4 C5 121.2(5) . . ? 
C3 C4 H4A 119.4 . . ? 
C5 C4 H4A 119.4 . . ? 
C4 C5 C10 116.4(5) . . ? 
C4 C5 C6 125.4(5) . . ? 
C10 C5 C6 118.1(5) . . ? 
C7 C6 C5 122.1(5) . . ? 
C7 C6 H6A 118.9 . . ? 
C5 C6 H6A 118.9 . . ? 
C6 C7 C8 121.1(5) . . ? 
C6 C7 H7A 119.4 . . ? 
C8 C7 H7A 119.4 . . ? 
C9 C8 C11 117.0(4) . . ? 
C9 C8 C7 118.2(4) . . ? 
C11 C8 C7 124.8(4) . . ? 
N2 C9 C8 122.6(4) . . ? 
N2 C9 C10 117.5(4) . . ? 
C8 C9 C10 119.9(4) . . ? 
N1 C10 C5 122.5(4) . . ? 
N1 C10 C9 116.9(4) . . ? 
C5 C10 C9 120.5(4) . . ? 
C12 C11 C8 119.2(4) . . ? 
C12 C11 H11A 120.4 . . ? 
C8 C11 H11A 120.4 . . ? 
C11 C12 C13 119.8(5) . . ? 
C11 C12 H12A 120.1 . . ? 
C13 C12 H12A 120.1 . . ? 
N2 C13 C12 122.0(4) . . ? 
N2 C13 C14 114.8(4) . . ? 
C12 C13 C14 123.2(4) . . ? 
O3 C14 O4 124.8(4) . . ? 
O3 C14 C13 120.5(4) . . ? 
O4 C14 C13 114.7(4) . . ? 
O5 C15 O6 126.5(5) . . ? 
O5 C15 C16 117.2(4) . . ? 
O6 C15 C16 116.3(4) . . ? 
N3 C16 C17 121.0(4) . . ? 
N3 C16 C15 115.6(4) . . ? 
C17 C16 C15 123.4(4) . . ? 
C18 C17 C16 119.5(5) . . ? 
C18 C17 H17A 120.3 . . ? 
C16 C17 H17A 120.3 . . ? 
C17 C18 C19 120.5(4) . . ? 
C17 C18 H18A 119.8 . . ? 
C19 C18 H18A 119.8 . . ? 
C18 C19 C20 116.9(4) . . ? 
C18 C19 C21 124.9(4) . . ? 
C20 C19 C21 118.1(4) . . ? 
N3 C20 C19 122.5(4) . . ? 
N3 C20 C24 116.6(4) . . ? 
C19 C20 C24 120.8(4) . . ? 
C22 C21 C19 120.8(5) . . ? 
C22 C21 H21A 119.6 . . ? 
C19 C21 H21A 119.6 . . ? 
C21 C22 C23 122.0(5) . . ? 
C21 C22 H22A 119.0 . . ? 
C23 C22 H22A 119.0 . . ? 
C24 C23 C25 116.6(5) . . ? 
C24 C23 C22 118.8(5) . . ? 
C25 C23 C22 124.6(5) . . ? 
N4 C24 C23 123.0(4) . . ? 
N4 C24 C20 117.5(4) . . ? 
C23 C24 C20 119.5(4) . . ? 
C26 C25 C23 119.6(5) . . ? 
C26 C25 H25A 120.2 . . ? 
C23 C25 H25A 120.2 . . ? 
C25 C26 C27 119.7(5) . . ? 
C25 C26 H26A 120.1 . . ? 
C27 C26 H26A 120.1 . . ? 
N4 C27 C26 121.5(5) . . ? 
N4 C27 C28 115.8(5) . . ? 
C26 C27 C28 122.7(5) . . ? 
O7 C28 O8 125.2(5) . . ? 
O7 C28 C27 119.7(5) . . ? 
O8 C28 C27 115.0(4) . . ? 
C2 N1 C10 121.0(4) . . ? 
C2 N1 Bi1 117.8(3) . . ? 
C10 N1 Bi1 121.2(3) . . ? 
C13 N2 C9 119.4(4) . . ? 
C13 N2 Bi1 122.3(3) . . ? 
C9 N2 Bi1 117.8(3) . . ? 
C16 N3 C20 119.6(4) . . ? 
C16 N3 Bi2 121.7(3) . . ? 
C20 N3 Bi2 118.7(3) . . ? 
C27 N4 C24 119.5(4) . . ? 
C27 N4 Bi2 119.4(3) . . ? 
C24 N4 Bi2 120.8(3) . . ? 
O12 N6 O13 120.7(5) . . ? 
O12 N6 O14 120.7(5) . . ? 
O13 N6 O14 117.9(6) . . ? 
O11 N5 O9 121.0(5) . . ? 
O11 N5 O10 121.0(5) . . ? 
O9 N5 O10 118.0(5) . . ? 
Bi1 O1W H1WB 119(5) . . ? 
Bi1 O1W H1WA 92(4) . . ? 
H1WB O1W H1WA 129(6) . . ? 
C1 O2 Bi1 120.9(3) . . ? 
Bi1 O2W H2WB 108(4) . . ? 
Bi1 O2W H2WA 112(4) . . ? 
H2WB O2W H2WA 125(6) . . ? 
Bi2 O3W H3WA 103(4) . . ? 
Bi2 O3W H3WB 103(4) . . ? 
H3WA O3W H3WB 114(6) . . ? 
C14 O4 Bi1 123.7(3) . . ? 
C15 O5 Bi1 151.9(3) . . ? 
C15 O6 Bi2 120.3(3) . . ? 
C28 O8 Bi2 122.8(3) . . ? 
N5 O9 Bi2 98.4(3) . . ? 
N6 O12 Bi2 104.1(4) . . ? 
N6 O13 Bi2 85.7(3) . . ? 
 
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 
O1 C1 C2 N1 159.4(5) . . . . ? 
O2 C1 C2 N1 -17.8(6) . . . . ? 
O1 C1 C2 C3 -15.7(8) . . . . ? 
O2 C1 C2 C3 167.2(5) . . . . ? 
N1 C2 C3 C4 -0.9(7) . . . . ? 
C1 C2 C3 C4 173.9(5) . . . . ? 
C2 C3 C4 C5 -1.9(8) . . . . ? 
C3 C4 C5 C10 2.0(7) . . . . ? 
C3 C4 C5 C6 -177.0(5) . . . . ? 
C4 C5 C6 C7 177.3(5) . . . . ? 
C10 C5 C6 C7 -1.6(8) . . . . ? 
C5 C6 C7 C8 -0.1(8) . . . . ? 
C6 C7 C8 C9 1.3(8) . . . . ? 
C6 C7 C8 C11 179.5(5) . . . . ? 
C11 C8 C9 N2 2.4(7) . . . . ? 
C7 C8 C9 N2 -179.2(4) . . . . ? 
C11 C8 C9 C10 -179.1(5) . . . . ? 
C7 C8 C9 C10 -0.7(7) . . . . ? 
C4 C5 C10 N1 0.6(7) . . . . ? 
C6 C5 C10 N1 179.7(4) . . . . ? 
C4 C5 C10 C9 -176.9(5) . . . . ? 
C6 C5 C10 C9 2.2(7) . . . . ? 
N2 C9 C10 N1 -0.1(6) . . . . ? 
C8 C9 C10 N1 -178.7(4) . . . . ? 
N2 C9 C10 C5 177.5(4) . . . . ? 
C8 C9 C10 C5 -1.0(7) . . . . ? 
C9 C8 C11 C12 -1.8(8) . . . . ? 
C7 C8 C11 C12 180.0(5) . . . . ? 
C8 C11 C12 C13 0.0(8) . . . . ? 
C11 C12 C13 N2 1.4(8) . . . . ? 
C11 C12 C13 C14 -177.1(5) . . . . ? 
N2 C13 C14 O3 179.7(4) . . . . ? 
C12 C13 C14 O3 -1.7(7) . . . . ? 
N2 C13 C14 O4 -0.6(6) . . . . ? 
C12 C13 C14 O4 178.0(5) . . . . ? 
O5 C15 C16 N3 -172.6(4) . . . . ? 
O6 C15 C16 N3 8.3(6) . . . . ? 
O5 C15 C16 C17 8.5(7) . . . . ? 
O6 C15 C16 C17 -170.7(5) . . . . ? 
N3 C16 C17 C18 -1.7(7) . . . . ? 
C15 C16 C17 C18 177.2(5) . . . . ? 
C16 C17 C18 C19 0.0(8) . . . . ? 
C17 C18 C19 C20 1.1(7) . . . . ? 
C17 C18 C19 C21 -178.9(5) . . . . ? 
C18 C19 C20 N3 -0.6(7) . . . . ? 
C21 C19 C20 N3 179.4(4) . . . . ? 
C18 C19 C20 C24 -179.4(4) . . . . ? 
C21 C19 C20 C24 0.6(7) . . . . ? 
C18 C19 C21 C22 -179.9(5) . . . . ? 
C20 C19 C21 C22 0.1(7) . . . . ? 
C19 C21 C22 C23 -0.3(8) . . . . ? 
C21 C22 C23 C24 -0.2(8) . . . . ? 
C21 C22 C23 C25 -178.9(5) . . . . ? 
C25 C23 C24 N4 -0.1(7) . . . . ? 
C22 C23 C24 N4 -178.8(5) . . . . ? 
C25 C23 C24 C20 179.6(5) . . . . ? 
C22 C23 C24 C20 0.9(7) . . . . ? 
N3 C20 C24 N4 -0.2(6) . . . . ? 
C19 C20 C24 N4 178.6(4) . . . . ? 
N3 C20 C24 C23 -179.9(4) . . . . ? 
C19 C20 C24 C23 -1.1(7) . . . . ? 
C24 C23 C25 C26 1.7(8) . . . . ? 
C22 C23 C25 C26 -179.6(5) . . . . ? 
C23 C25 C26 C27 -1.4(9) . . . . ? 
C25 C26 C27 N4 -0.7(8) . . . . ? 
C25 C26 C27 C28 178.5(5) . . . . ? 
N4 C27 C28 O7 177.9(5) . . . . ? 
C26 C27 C28 O7 -1.4(9) . . . . ? 
N4 C27 C28 O8 -3.5(7) . . . . ? 
C26 C27 C28 O8 177.2(5) . . . . ? 
C3 C2 N1 C10 3.5(7) . . . . ? 
C1 C2 N1 C10 -171.7(4) . . . . ? 
C3 C2 N1 Bi1 -173.7(4) . . . . ? 
C1 C2 N1 Bi1 11.0(5) . . . . ? 
C5 C10 N1 C2 -3.4(7) . . . . ? 
C9 C10 N1 C2 174.2(4) . . . . ? 
C5 C10 N1 Bi1 173.7(3) . . . . ? 
C9 C10 N1 Bi1 -8.7(6) . . . . ? 
O2W Bi1 N1 C2 -85.7(3) . . . . ? 
O2 Bi1 N1 C2 -2.7(3) . . . . ? 
O5 Bi1 N1 C2 -48.7(4) . . . . ? 
N2 Bi1 N1 C2 -173.7(4) . . . . ? 
O4 Bi1 N1 C2 -160.4(3) . . . . ? 
O1W Bi1 N1 C2 101.1(4) . . . . ? 
O2W Bi1 N1 C10 97.0(4) . . . . ? 
O2 Bi1 N1 C10 -179.9(4) . . . . ? 
O5 Bi1 N1 C10 134.0(3) . . . . ? 
N2 Bi1 N1 C10 9.1(3) . . . . ? 
O4 Bi1 N1 C10 22.3(4) . . . . ? 
O1W Bi1 N1 C10 -76.1(3) . . . . ? 
C12 C13 N2 C9 -0.8(7) . . . . ? 
C14 C13 N2 C9 177.9(4) . . . . ? 
C12 C13 N2 Bi1 170.9(4) . . . . ? 
C14 C13 N2 Bi1 -10.4(5) . . . . ? 
C8 C9 N2 C13 -1.2(7) . . . . ? 
C10 C9 N2 C13 -179.7(4) . . . . ? 
C8 C9 N2 Bi1 -173.3(3) . . . . ? 
C10 C9 N2 Bi1 8.2(5) . . . . ? 
O2W Bi1 N2 C13 101.4(4) . . . . ? 
O2 Bi1 N2 C13 168.2(3) . . . . ? 
N1 Bi1 N2 C13 179.3(4) . . . . ? 
O5 Bi1 N2 C13 40.9(4) . . . . ? 
O4 Bi1 N2 C13 11.3(3) . . . . ? 
O1W Bi1 N2 C13 -104.6(4) . . . . ? 
O2W Bi1 N2 C9 -86.7(3) . . . . ? 
O2 Bi1 N2 C9 -20.0(4) . . . . ? 
N1 Bi1 N2 C9 -8.8(3) . . . . ? 
O5 Bi1 N2 C9 -147.3(3) . . . . ? 
O4 Bi1 N2 C9 -176.9(4) . . . . ? 
O1W Bi1 N2 C9 67.2(3) . . . . ? 
C17 C16 N3 C20 2.1(7) . . . . ? 
C15 C16 N3 C20 -176.9(4) . . . . ? 
C17 C16 N3 Bi2 -176.0(3) . . . . ? 
C15 C16 N3 Bi2 5.1(5) . . . . ? 
C19 C20 N3 C16 -0.9(7) . . . . ? 
C24 C20 N3 C16 177.9(4) . . . . ? 
C19 C20 N3 Bi2 177.2(3) . . . . ? 
C24 C20 N3 Bi2 -4.0(5) . . . . ? 
O12 Bi2 N3 C16 112.2(4) . . . . ? 
O8 Bi2 N3 C16 -173.2(3) . . . . ? 
N4 Bi2 N3 C16 -177.5(4) . . . . ? 
O3W Bi2 N3 C16 -91.6(4) . . . . ? 
O6 Bi2 N3 C16 -9.3(3) . . . . ? 
O13 Bi2 N3 C16 64.2(4) . . . . ? 
O9 Bi2 N3 C16 50.8(4) . . . . ? 
O12 Bi2 N3 C20 -65.8(3) . . . . ? 
O8 Bi2 N3 C20 8.8(4) . . . . ? 
N4 Bi2 N3 C20 4.4(3) . . . . ? 
O3W Bi2 N3 C20 90.4(3) . . . . ? 
O6 Bi2 N3 C20 172.6(4) . . . . ? 
O13 Bi2 N3 C20 -113.9(4) . . . . ? 
O9 Bi2 N3 C20 -127.2(3) . . . . ? 
C26 C27 N4 C24 2.3(7) . . . . ? 
C28 C27 N4 C24 -176.9(4) . . . . ? 
C26 C27 N4 Bi2 176.3(4) . . . . ? 
C28 C27 N4 Bi2 -3.0(6) . . . . ? 
C23 C24 N4 C27 -2.0(7) . . . . ? 
C20 C24 N4 C27 178.3(4) . . . . ? 
C23 C24 N4 Bi2 -175.8(4) . . . . ? 
C20 C24 N4 Bi2 4.5(6) . . . . ? 
O12 Bi2 N4 C27 -86.0(4) . . . . ? 
O8 Bi2 N4 C27 5.0(3) . . . . ? 
O3W Bi2 N4 C27 99.5(4) . . . . ? 
N3 Bi2 N4 C27 -178.5(4) . . . . ? 
O6 Bi2 N4 C27 168.0(3) . . . . ? 
O13 Bi2 N4 C27 -110.1(4) . . . . ? 
O9 Bi2 N4 C27 -34.2(4) . . . . ? 
O12 Bi2 N4 C24 87.8(4) . . . . ? 
O8 Bi2 N4 C24 178.9(4) . . . . ? 
O3W Bi2 N4 C24 -86.6(4) . . . . ? 
N3 Bi2 N4 C24 -4.6(3) . . . . ? 
O6 Bi2 N4 C24 -18.2(4) . . . . ? 
O13 Bi2 N4 C24 63.7(4) . . . . ? 
O9 Bi2 N4 C24 139.6(3) . . . . ? 
O1 C1 O2 Bi1 -160.8(4) . . . . ? 
C2 C1 O2 Bi1 16.1(6) . . . . ? 
O2W Bi1 O2 C1 71.6(4) . . . . ? 
N1 Bi1 O2 C1 -7.8(4) . . . . ? 
O5 Bi1 O2 C1 145.8(4) . . . . ? 
N2 Bi1 O2 C1 3.2(5) . . . . ? 
O4 Bi1 O2 C1 123.8(4) . . . . ? 
O1W Bi1 O2 C1 -76.5(4) . . . . ? 
O3 C14 O4 Bi1 -168.8(4) . . . . ? 
C13 C14 O4 Bi1 11.5(6) . . . . ? 
O2W Bi1 O4 C14 -95.2(4) . . . . ? 
O2 Bi1 O4 C14 -146.1(4) . . . . ? 
N1 Bi1 O4 C14 -25.6(5) . . . . ? 
O5 Bi1 O4 C14 -168.9(4) . . . . ? 
N2 Bi1 O4 C14 -12.1(4) . . . . ? 
O1W Bi1 O4 C14 55.1(4) . . . . ? 
O6 C15 O5 Bi1 89.5(9) . . . . ? 
C16 C15 O5 Bi1 -89.6(8) . . . . ? 
O2W Bi1 O5 C15 164.8(8) . . . . ? 
O2 Bi1 O5 C15 85.3(8) . . . . ? 
N1 Bi1 O5 C15 127.3(7) . . . . ? 
N2 Bi1 O5 C15 -131.1(7) . . . . ? 
O4 Bi1 O5 C15 -103.8(8) . . . . ? 
O1W Bi1 O5 C15 -7.1(8) . . . . ? 
O5 C15 O6 Bi2 163.6(4) . . . . ? 
C16 C15 O6 Bi2 -17.3(6) . . . . ? 
O12 Bi2 O6 C15 -54.7(4) . . . . ? 
O8 Bi2 O6 C15 158.5(4) . . . . ? 
N4 Bi2 O6 C15 28.2(5) . . . . ? 
O3W Bi2 O6 C15 98.3(4) . . . . ? 
N3 Bi2 O6 C15 14.3(4) . . . . ? 
O13 Bi2 O6 C15 -74.0(4) . . . . ? 
O9 Bi2 O6 C15 -135.7(4) . . . . ? 
O7 C28 O8 Bi2 -172.8(5) . . . . ? 
C27 C28 O8 Bi2 8.7(7) . . . . ? 
O12 Bi2 O8 C28 63.2(5) . . . . ? 
N4 Bi2 O8 C28 -7.6(4) . . . . ? 
O3W Bi2 O8 C28 -88.6(5) . . . . ? 
N3 Bi2 O8 C28 -11.9(6) . . . . ? 
O6 Bi2 O8 C28 -146.8(4) . . . . ? 
O13 Bi2 O8 C28 93.7(5) . . . . ? 
O9 Bi2 O8 C28 143.9(5) . . . . ? 
O11 N5 O9 Bi2 -164.0(5) . . . . ? 
O10 N5 O9 Bi2 15.6(5) . . . . ? 
O12 Bi2 O9 N5 149.4(4) . . . . ? 
O8 Bi2 O9 N5 64.2(3) . . . . ? 
N4 Bi2 O9 N5 100.8(4) . . . . ? 
O3W Bi2 O9 N5 -16.2(4) . . . . ? 
N3 Bi2 O9 N5 -147.9(3) . . . . ? 
O6 Bi2 O9 N5 -96.5(3) . . . . ? 
O13 Bi2 O9 N5 -162.4(4) . . . . ? 
O13 N6 O12 Bi2 14.7(7) . . . . ? 
O14 N6 O12 Bi2 -174.9(5) . . . . ? 
O8 Bi2 O12 N6 136.1(4) . . . . ? 
N4 Bi2 O12 N6 -156.6(4) . . . . ? 
O3W Bi2 O12 N6 -145.2(4) . . . . ? 
N3 Bi2 O12 N6 -90.0(4) . . . . ? 
O6 Bi2 O12 N6 -32.7(5) . . . . ? 
O13 Bi2 O12 N6 -7.7(4) . . . . ? 
O9 Bi2 O12 N6 59.2(4) . . . . ? 
O12 N6 O13 Bi2 -12.5(6) . . . . ? 
O14 N6 O13 Bi2 176.8(6) . . . . ? 
O12 Bi2 O13 N6 7.1(3) . . . . ? 
O8 Bi2 O13 N6 -35.9(4) . . . . ? 
N4 Bi2 O13 N6 38.2(4) . . . . ? 
O3W Bi2 O13 N6 148.5(3) . . . . ? 
N3 Bi2 O13 N6 97.7(4) . . . . ? 
O6 Bi2 O13 N6 163.1(4) . . . . ? 
O9 Bi2 O13 N6 -90.6(4) . . . . ? 
 
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    1.625 
_refine_diff_density_min   -1.210 
_refine_diff_density_rms    0.127 
