# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 186/1307
 
data_mm9712 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C22 H47 Bi N11 O19.50 S2' 
_chemical_formula_weight          1050.81 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 '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'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'S'  'S'   0.3331   0.5567 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Bi'  'Bi'  -4.0111   8.9310 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
  
_cell_length_a                    10.6246(11) 
_cell_length_b                    21.341(2) 
_cell_length_c                    16.676(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  94.802(9) 
_cell_angle_gamma                 90.00 
_cell_volume                      3767.9(7) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     34 
_cell_measurement_theta_min       10.74 
_cell_measurement_theta_max       24.92 
  
_exptl_crystal_description        Blocks 
_exptl_crystal_colour             Pale_yellow 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.852 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              2108 
_exptl_absorpt_coefficient_mu     11.049 
_exptl_absorpt_correction_type    Empirical 
_exptl_absorpt_correction_T_min   0.196539 
_exptl_absorpt_correction_T_max   0.66548 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Siemens P4' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  97 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         28.31 
_diffrn_reflns_number             6437 
_diffrn_reflns_av_R_equivalents   0.0773 
_diffrn_reflns_av_sigmaI/netI     0.0622 
_diffrn_reflns_limit_h_min        -6 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        24 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          3.37 
_diffrn_reflns_theta_max          63.01 
_reflns_number_total              6081 
_reflns_number_observed           4768 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Siemens XSCANS' 
_computing_cell_refinement        'Siemens XSCANS' 
_computing_data_reduction         'Siemens SHELXTL' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 357 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0748P)^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     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          5724 
_refine_ls_number_parameters      522 
_refine_ls_number_restraints      16 
_refine_ls_R_factor_all           0.0705 
_refine_ls_R_factor_obs           0.0511 
_refine_ls_wR_factor_all          0.1289 
_refine_ls_wR_factor_obs          0.1168 
_refine_ls_goodness_of_fit_all    1.062 
_refine_ls_goodness_of_fit_obs    1.114 
_refine_ls_restrained_S_all       1.075 
_refine_ls_restrained_S_obs       1.112 
_refine_ls_shift/esd_max          -1.432 
_refine_ls_shift/esd_mean         0.008 
  
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Bi Bi 0.16971(3) 0.723543(14) 0.00713(2) 0.03666(13) Uani 1 d . . 
O O -0.0424(10) 0.6822(5) -0.0874(6) 0.085(3) Uani 1 d . . 
N1 N -0.0411(7) 0.8989(3) 0.0932(5) 0.044(2) Uani 1 d . . 
H1A H -0.0033(7) 0.9331(3) 0.1082(5) 0.053 Uiso 1 calc R . 
C2 C 0.0167(8) 0.8603(4) 0.0455(5) 0.040(2) Uani 1 d . . 
O2 O -0.0264(6) 0.8075(3) 0.0245(5) 0.0492(15) Uani 1 d . . 
C3 C 0.1421(9) 0.8823(4) 0.0188(6) 0.045(2) Uani 1 d . . 
H3A H 0.1323(9) 0.9235(4) -0.0053(6) 0.055 Uiso 1 calc R . 
H3B H 0.2035(9) 0.8853(4) 0.0651(6) 0.055 Uiso 1 calc R . 
N4 N 0.1877(7) 0.8380(3) -0.0399(5) 0.047(2) Uani 1 d . . 
C5 C 0.3187(10) 0.8503(5) -0.0582(7) 0.058(2) Uani 1 d . . 
H5A H 0.3345(10) 0.8951(5) -0.0557(7) 0.069 Uiso 1 calc R . 
H5B H 0.3299(10) 0.8364(5) -0.1125(7) 0.069 Uiso 1 calc R . 
C6 C 0.4124(9) 0.8173(5) -0.0001(8) 0.058(3) Uani 1 d . . 
H6A H 0.4033(9) 0.8325(5) 0.0540(8) 0.069 Uiso 1 calc R . 
H6B H 0.4973(9) 0.8270(5) -0.0134(8) 0.069 Uiso 1 calc R . 
N7 N 0.3930(7) 0.7462(4) -0.0025(5) 0.043(2) Uani 1 d . . 
C8 C 0.4708(8) 0.7246(5) 0.0722(6) 0.051(2) Uani 1 d . . 
H8A H 0.4582(8) 0.7531(5) 0.1161(6) 0.061 Uiso 1 calc R . 
H8B H 0.5595(8) 0.7255(5) 0.0626(6) 0.061 Uiso 1 calc R . 
C9 C 0.4353(7) 0.6592(4) 0.0958(5) 0.043(2) Uani 1 d . . 
H9A H 0.4447(7) 0.6306(4) 0.0514(5) 0.051 Uiso 1 calc R . 
H9B H 0.4910(7) 0.6453(4) 0.1414(5) 0.051 Uiso 1 calc R . 
N10 N 0.3026(6) 0.6585(3) 0.1171(5) 0.0409(15) Uani 1 d . . 
C11 C 0.2522(8) 0.5938(4) 0.1166(6) 0.043(2) Uani 1 d . . 
H11A H 0.2895(8) 0.5710(4) 0.1629(6) 0.052 Uiso 1 calc R . 
H11B H 0.2736(8) 0.5722(4) 0.0684(6) 0.052 Uiso 1 calc R . 
O12 O 0.0466(6) 0.6339(4) 0.0762(5) 0.061(2) Uani 1 d . . 
C12 C 0.1110(8) 0.5964(4) 0.1188(6) 0.044(2) Uani 1 d . . 
N13 N 0.0650(7) 0.5554(4) 0.1679(5) 0.046(2) Uani 1 d . . 
H13A H 0.1160(7) 0.5304(4) 0.1950(5) 0.056 Uiso 1 calc R . 
C14 C -0.1624(9) 0.8866(4) 0.1209(6) 0.046(2) Uani 1 d . . 
O15 O -0.2481(7) 0.9768(3) 0.0545(5) 0.058(2) Uani 1 d . . 
C15 C -0.2576(9) 0.9309(4) 0.1000(6) 0.045(2) Uani 1 d . . 
N16 N -0.3730(7) 0.9209(4) 0.1328(5) 0.047(2) Uani 1 d . . 
H16A H -0.4318(7) 0.9481(4) 0.1220(5) 0.056 Uiso 1 calc R . 
S17 S -0.5391(2) 0.86261(12) 0.2167(2) 0.0532(5) Uani 1 d . . 
C17 C -0.3997(8) 0.8714(4) 0.1806(5) 0.044(2) Uani 1 d . . 
N18 N -0.3052(8) 0.8289(4) 0.1944(5) 0.051(2) Uani 1 d . . 
H18A H -0.3204(8) 0.7958(4) 0.2213(5) 0.062 Uiso 1 calc R . 
C19 C -0.1865(8) 0.8355(4) 0.1678(5) 0.043(2) Uani 1 d . . 
N19 N -0.1038(8) 0.7894(4) 0.1894(6) 0.057(2) Uani 1 d D . 
H19A H -0.1497(120) 0.7539(40) 0.1880(94) 0.078(43) Uiso 1 d D . 
H19B H -0.0244(49) 0.7965(56) 0.1786(75) 0.059(32) Uiso 1 d D . 
C20 C 0.1077(12) 0.8437(5) -0.1182(6) 0.061(3) Uani 1 d . . 
H20A H 0.1252(12) 0.8831(5) -0.1440(6) 0.073 Uiso 1 calc R . 
H20B H 0.0189(12) 0.8430(5) -0.1085(6) 0.073 Uiso 1 calc R . 
C21 C 0.1376(9) 0.7893(4) -0.1722(6) 0.045(2) Uani 1 d . . 
O21 O 0.1247(7) 0.7968(3) -0.2464(4) 0.058(2) Uani 1 d . . 
O22 O 0.1726(7) 0.7389(3) -0.1398(4) 0.053(2) Uani 1 d . . 
C23 C 0.4334(8) 0.7136(5) -0.0722(7) 0.054(2) Uani 1 d . . 
H23A H 0.5224(8) 0.7036(5) -0.0622(7) 0.064 Uiso 1 calc R . 
H23B H 0.4245(8) 0.7418(5) -0.1180(7) 0.064 Uiso 1 calc R . 
O23 O 0.1900(7) 0.7752(3) 0.1346(4) 0.0504(14) Uani 1 d . . 
C24 C 0.3623(9) 0.6537(5) -0.0945(6) 0.049(2) Uani 1 d . . 
O24 O 0.3970(8) 0.6201(4) -0.1463(6) 0.069(2) Uani 1 d . . 
O25 O 0.2656(6) 0.6401(3) -0.0551(4) 0.0458(14) Uani 1 d . . 
C26 C 0.2955(9) 0.6874(5) 0.1985(6) 0.050(2) Uani 1 d . . 
H26A H 0.3809(9) 0.6941(5) 0.2222(6) 0.060 Uiso 1 calc R . 
H26B H 0.2557(9) 0.6576(5) 0.2323(6) 0.060 Uiso 1 calc R . 
O27 O 0.2077(9) 0.7691(4) 0.2662(4) 0.067(2) Uani 1 d . . 
C27 C 0.2251(8) 0.7484(4) 0.2006(5) 0.044(2) Uani 1 d . . 
C29 C -0.0674(9) 0.5513(5) 0.1772(6) 0.048(2) Uani 1 d . . 
C30 C -0.1308(8) 0.4974(4) 0.1513(6) 0.046(2) Uani 1 d . . 
N30 N -0.0816(8) 0.4510(4) 0.1117(7) 0.059(2) Uani 1 d D . 
H30A H -0.1310(93) 0.4213(40) 0.0870(67) 0.055(31) Uiso 1 d D . 
H30B H 0.0027(33) 0.4553(74) 0.1147(102) 0.092(47) Uiso 1 d D . 
N31 N -0.2542(7) 0.4903(3) 0.1696(5) 0.046(2) Uani 1 d . . 
H31A H -0.2904(7) 0.4547(3) 0.1599(5) 0.056 Uiso 1 calc R . 
S32 S -0.4691(2) 0.52570(13) 0.2253(2) 0.0614(6) Uani 1 d . . 
C32 C -0.3217(9) 0.5367(4) 0.2024(6) 0.047(2) Uani 1 d . . 
N33 N -0.2587(7) 0.5911(4) 0.2168(5) 0.051(2) Uani 1 d . . 
H33A H -0.3022(7) 0.6225(4) 0.2315(5) 0.061 Uiso 1 calc R . 
O34 O -0.0838(6) 0.6518(3) 0.2351(5) 0.057(2) Uani 1 d . . 
C34 C -0.1300(9) 0.6017(4) 0.2103(6) 0.047(2) Uani 1 d . . 
O101 O -0.7613(7) 0.4864(4) 0.2789(5) 0.068(2) Uani 1 d . . 
O102 O 0.1463(9) 0.8898(4) 0.2987(8) 0.084(3) Uani 1 d . . 
O103 O 0.0879(10) 1.0261(5) 0.0861(6) 0.080(2) Uani 1 d . . 
O104 O -0.5695(9) 1.0054(5) 0.0840(6) 0.082(3) Uani 1 d . . 
O105 O -0.2632(10) 0.7774(6) -0.0703(7) 0.093(3) Uani 1 d . . 
O106 O 0.1116(13) 0.6211(6) 0.3542(8) 0.107(4) Uani 1 d . . 
O107 O -0.1843(13) 0.5687(7) -0.0706(12) 0.132(5) Uani 1 d . . 
O108 O -0.2214(23) 0.6679(12) 0.0455(16) 0.190(8) Uani 1 d U . 
O109 O 0.5699(35) 0.5270(17) -0.0235(25) 0.150(11) Uani 0.50 d PU . 
  
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 
Bi 0.0330(2) 0.0379(2) 0.0397(2) -0.00252(13) 0.00698(10) -0.00061(13) 
O 0.084(6) 0.102(7) 0.071(6) -0.016(5) 0.010(4) -0.014(5) 
N1 0.041(4) 0.040(4) 0.055(4) -0.004(3) 0.016(3) -0.004(3) 
C2 0.040(4) 0.045(4) 0.036(4) 0.004(3) 0.004(3) 0.003(3) 
O2 0.042(3) 0.037(3) 0.070(4) -0.012(3) 0.010(3) -0.008(2) 
C3 0.047(5) 0.047(4) 0.044(5) 0.000(4) 0.014(4) 0.002(4) 
N4 0.051(4) 0.037(4) 0.055(4) 0.004(3) 0.020(3) 0.004(3) 
C5 0.058(6) 0.050(5) 0.069(7) -0.001(5) 0.024(5) -0.003(4) 
C6 0.039(4) 0.050(5) 0.085(7) 0.009(5) 0.010(4) -0.013(4) 
N7 0.033(3) 0.044(4) 0.054(4) 0.007(3) 0.005(3) 0.001(3) 
C8 0.035(4) 0.055(5) 0.063(6) -0.002(5) 0.003(4) -0.004(4) 
C9 0.032(4) 0.052(5) 0.044(4) 0.005(4) 0.003(3) 0.002(3) 
N10 0.035(3) 0.041(4) 0.047(4) 0.001(3) 0.006(3) 0.006(3) 
C11 0.039(4) 0.043(4) 0.049(5) 0.008(4) 0.009(3) -0.002(3) 
O12 0.038(3) 0.062(4) 0.082(5) 0.029(4) 0.001(3) -0.001(3) 
C12 0.040(4) 0.048(5) 0.046(5) 0.004(4) 0.005(3) 0.002(4) 
N13 0.039(4) 0.048(4) 0.052(4) 0.006(3) 0.005(3) 0.001(3) 
C14 0.048(4) 0.043(4) 0.050(5) -0.002(4) 0.014(4) 0.001(4) 
O15 0.053(4) 0.052(4) 0.072(5) 0.018(3) 0.017(3) 0.010(3) 
C15 0.045(4) 0.046(5) 0.045(5) 0.001(4) 0.010(4) -0.001(4) 
N16 0.037(3) 0.044(4) 0.061(5) 0.009(3) 0.011(3) 0.004(3) 
S17 0.0444(11) 0.0618(13) 0.0552(13) 0.0044(10) 0.0158(9) 0.0030(10) 
C17 0.045(4) 0.051(5) 0.038(4) 0.004(4) 0.011(3) -0.003(4) 
N18 0.047(4) 0.052(4) 0.056(4) 0.011(4) 0.018(3) 0.005(4) 
C19 0.040(4) 0.047(4) 0.043(4) 0.004(4) 0.008(3) 0.008(4) 
N19 0.049(4) 0.055(5) 0.067(5) 0.015(4) 0.010(4) 0.012(4) 
C20 0.083(7) 0.056(6) 0.044(5) 0.003(4) 0.013(5) 0.022(5) 
C21 0.052(5) 0.044(5) 0.042(5) 0.007(4) 0.011(4) -0.001(4) 
O21 0.070(4) 0.058(4) 0.046(4) 0.008(3) 0.011(3) -0.001(3) 
O22 0.068(4) 0.046(4) 0.043(3) 0.000(3) -0.001(3) 0.002(3) 
C23 0.033(4) 0.069(6) 0.062(6) 0.007(5) 0.021(4) -0.003(4) 
O23 0.065(4) 0.040(3) 0.046(3) -0.010(3) 0.006(3) 0.005(3) 
C24 0.043(4) 0.057(5) 0.048(5) -0.003(4) 0.017(4) 0.011(4) 
O24 0.074(5) 0.059(4) 0.079(5) -0.023(4) 0.039(4) -0.004(4) 
O25 0.038(3) 0.041(3) 0.060(4) -0.005(3) 0.013(3) 0.000(2) 
C26 0.054(5) 0.056(5) 0.040(5) -0.003(4) 0.005(4) 0.005(4) 
O27 0.093(6) 0.066(4) 0.043(4) -0.002(3) 0.016(3) 0.013(4) 
C27 0.041(4) 0.049(4) 0.043(5) -0.003(4) 0.008(3) 0.000(4) 
C29 0.045(5) 0.048(5) 0.053(5) -0.002(4) 0.009(4) -0.002(4) 
C30 0.042(4) 0.041(4) 0.053(5) -0.004(4) 0.004(4) 0.001(4) 
N30 0.047(4) 0.046(4) 0.084(6) -0.016(4) 0.007(4) -0.002(4) 
N31 0.042(4) 0.038(4) 0.060(5) -0.002(3) 0.010(3) -0.008(3) 
S32 0.0423(11) 0.0558(13) 0.088(2) -0.0038(13) 0.0148(11) -0.0026(10) 
C32 0.044(4) 0.048(5) 0.049(5) -0.003(4) 0.012(4) -0.002(4) 
N33 0.041(4) 0.045(4) 0.066(5) -0.010(4) 0.007(3) 0.001(3) 
O34 0.048(3) 0.054(4) 0.070(5) -0.012(3) 0.006(3) -0.004(3) 
C34 0.046(4) 0.047(5) 0.048(5) -0.002(4) 0.008(4) -0.008(4) 
O101 0.059(4) 0.076(5) 0.068(5) 0.009(4) 0.012(4) -0.003(4) 
O102 0.066(5) 0.064(5) 0.128(9) -0.002(5) 0.037(5) 0.004(4) 
O103 0.087(6) 0.074(5) 0.079(6) -0.007(5) 0.009(5) 0.008(5) 
O104 0.078(5) 0.087(6) 0.080(6) 0.006(5) 0.003(5) 0.032(5) 
O105 0.073(5) 0.114(8) 0.091(7) -0.025(6) -0.005(5) 0.000(6) 
O106 0.122(9) 0.105(8) 0.088(7) 0.005(6) -0.016(7) -0.011(7) 
O107 0.090(8) 0.128(11) 0.182(16) 0.019(11) 0.036(9) 0.014(8) 
O108 0.190(8) 0.190(8) 0.190(8) 0.0001(10) 0.0159(12) 0.0002(10) 
O109 0.150(11) 0.150(11) 0.150(11) -0.0001(10) 0.0125(14) 0.0002(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 
Bi O25 2.337(6) . ? 
Bi O23 2.387(6) . ? 
Bi N7 2.440(7) . ? 
Bi O22 2.475(7) . ? 
Bi N4 2.577(7) . ? 
Bi N10 2.617(7) . ? 
Bi O12 2.636(7) . ? 
Bi O2 2.781(6) . ? 
Bi O 2.784(10) . ? 
N1 C2 1.330(12) . ? 
N1 C14 1.429(12) . ? 
C2 O2 1.256(11) . ? 
C2 C3 1.514(12) . ? 
C3 N4 1.472(12) . ? 
N4 C5 1.474(12) . ? 
N4 C20 1.502(14) . ? 
C5 C6 1.51(2) . ? 
C6 N7 1.531(12) . ? 
N7 C23 1.451(13) . ? 
N7 C8 1.508(12) . ? 
C8 C9 1.506(13) . ? 
C9 N10 1.484(10) . ? 
N10 C11 1.481(11) . ? 
N10 C26 1.498(12) . ? 
C11 C12 1.505(12) . ? 
O12 C12 1.238(12) . ? 
C12 N13 1.320(12) . ? 
N13 C29 1.431(12) . ? 
C14 C19 1.379(13) . ? 
C14 C15 1.407(13) . ? 
O15 C15 1.247(12) . ? 
C15 N16 1.400(12) . ? 
N16 C17 1.367(12) . ? 
S17 C17 1.655(9) . ? 
C17 N18 1.359(13) . ? 
N18 C19 1.379(12) . ? 
C19 N19 1.348(12) . ? 
C20 C21 1.519(13) . ? 
C21 O21 1.244(12) . ? 
C21 O22 1.247(11) . ? 
C23 C24 1.516(15) . ? 
O23 C27 1.268(12) . ? 
C24 O24 1.204(12) . ? 
C24 O25 1.297(11) . ? 
C26 C27 1.503(13) . ? 
O27 C27 1.208(12) . ? 
C29 C30 1.385(13) . ? 
C29 C34 1.401(14) . ? 
C30 N30 1.321(13) . ? 
C30 N31 1.379(12) . ? 
N31 C32 1.365(12) . ? 
S32 C32 1.659(9) . ? 
C32 N33 1.351(12) . ? 
N33 C34 1.399(12) . ? 
O34 C34 1.234(12) . ? 
  
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 
O25 Bi O23 137.5(2) . . ? 
O25 Bi N7 70.1(2) . . ? 
O23 Bi N7 87.2(3) . . ? 
O25 Bi O22 67.6(2) . . ? 
O23 Bi O22 144.4(2) . . ? 
N7 Bi O22 79.4(3) . . ? 
O25 Bi N4 122.7(2) . . ? 
O23 Bi N4 80.2(3) . . ? 
N7 Bi N4 72.2(2) . . ? 
O22 Bi N4 64.3(2) . . ? 
O25 Bi N10 71.2(2) . . ? 
O23 Bi N10 67.5(2) . . ? 
N7 Bi N10 71.4(2) . . ? 
O22 Bi N10 135.5(2) . . ? 
N4 Bi N10 131.8(2) . . ? 
O25 Bi O12 83.8(2) . . ? 
O23 Bi O12 87.5(3) . . ? 
N7 Bi O12 133.9(2) . . ? 
O22 Bi O12 125.2(3) . . ? 
N4 Bi O12 150.8(2) . . ? 
N10 Bi O12 64.4(2) . . ? 
O25 Bi O2 153.5(2) . . ? 
O23 Bi O2 67.8(2) . . ? 
N7 Bi O2 128.3(2) . . ? 
O22 Bi O2 95.2(2) . . ? 
N4 Bi O2 59.8(2) . . ? 
N10 Bi O2 129.3(2) . . ? 
O12 Bi O2 91.0(2) . . ? 
O25 Bi O 82.5(3) . . ? 
O23 Bi O 131.2(3) . . ? 
N7 Bi O 140.5(3) . . ? 
O22 Bi O 63.8(3) . . ? 
N4 Bi O 101.8(3) . . ? 
N10 Bi O 126.3(3) . . ? 
O12 Bi O 67.0(3) . . ? 
O2 Bi O 71.7(3) . . ? 
C2 N1 C14 123.6(8) . . ? 
O2 C2 N1 123.1(8) . . ? 
O2 C2 C3 120.4(8) . . ? 
N1 C2 C3 116.5(8) . . ? 
C2 O2 Bi 110.4(5) . . ? 
N4 C3 C2 110.1(7) . . ? 
C3 N4 C5 113.1(8) . . ? 
C3 N4 C20 109.4(7) . . ? 
C5 N4 C20 106.3(9) . . ? 
C3 N4 Bi 111.7(5) . . ? 
C5 N4 Bi 109.1(6) . . ? 
C20 N4 Bi 106.9(6) . . ? 
N4 C5 C6 111.6(9) . . ? 
C5 C6 N7 111.5(8) . . ? 
C23 N7 C8 109.6(7) . . ? 
C23 N7 C6 116.6(8) . . ? 
C8 N7 C6 102.6(8) . . ? 
C23 N7 Bi 108.2(5) . . ? 
C8 N7 Bi 110.7(5) . . ? 
C6 N7 Bi 108.9(5) . . ? 
N7 C8 C9 111.6(7) . . ? 
N10 C9 C8 109.6(7) . . ? 
C11 N10 C9 110.9(7) . . ? 
C11 N10 C26 110.1(7) . . ? 
C9 N10 C26 109.6(7) . . ? 
C11 N10 Bi 108.5(5) . . ? 
C9 N10 Bi 107.1(5) . . ? 
C26 N10 Bi 110.6(5) . . ? 
N10 C11 C12 109.0(7) . . ? 
C12 O12 Bi 116.7(6) . . ? 
O12 C12 N13 124.7(8) . . ? 
O12 C12 C11 120.9(8) . . ? 
N13 C12 C11 114.4(8) . . ? 
C12 N13 C29 121.7(8) . . ? 
C19 C14 C15 120.5(8) . . ? 
C19 C14 N1 122.9(8) . . ? 
C15 C14 N1 116.5(8) . . ? 
O15 C15 N16 118.4(8) . . ? 
O15 C15 C14 125.8(9) . . ? 
N16 C15 C14 115.8(8) . . ? 
C17 N16 C15 125.2(8) . . ? 
N18 C17 N16 115.4(8) . . ? 
N18 C17 S17 122.2(7) . . ? 
N16 C17 S17 122.4(7) . . ? 
C17 N18 C19 124.0(8) . . ? 
N19 C19 N18 115.6(9) . . ? 
N19 C19 C14 125.5(9) . . ? 
N18 C19 C14 118.8(8) . . ? 
N4 C20 C21 108.8(8) . . ? 
O21 C21 O22 123.0(9) . . ? 
O21 C21 C20 118.8(8) . . ? 
O22 C21 C20 118.2(8) . . ? 
C21 O22 Bi 121.0(6) . . ? 
N7 C23 C24 115.2(7) . . ? 
C27 O23 Bi 124.2(6) . . ? 
O24 C24 O25 122.3(10) . . ? 
O24 C24 C23 120.1(9) . . ? 
O25 C24 C23 117.6(8) . . ? 
C24 O25 Bi 116.6(6) . . ? 
N10 C26 C27 116.1(8) . . ? 
O27 C27 O23 124.4(9) . . ? 
O27 C27 C26 116.8(9) . . ? 
O23 C27 C26 118.8(8) . . ? 
C30 C29 C34 121.8(9) . . ? 
C30 C29 N13 118.2(9) . . ? 
C34 C29 N13 120.0(8) . . ? 
N30 C30 N31 116.9(8) . . ? 
N30 C30 C29 125.2(9) . . ? 
N31 C30 C29 117.9(8) . . ? 
C32 N31 C30 123.4(8) . . ? 
N33 C32 N31 115.2(8) . . ? 
N33 C32 S32 123.0(7) . . ? 
N31 C32 S32 121.8(7) . . ? 
C32 N33 C34 126.7(8) . . ? 
O34 C34 N33 118.5(9) . . ? 
O34 C34 C29 127.5(9) . . ? 
N33 C34 C29 114.0(8) . . ? 
  
_refine_diff_density_max    1.746 
_refine_diff_density_min   -1.423 
_refine_diff_density_rms    0.168