#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:04:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179739 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/35/7003551.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7003551
loop_
_publ_author_name
'Breunig, Hans J.'
'Königsmann, Lucia'
'Lork, Enno'
'Nema, Mihai'
'Philipp, Nicky'
'Silvestru, Cristian'
'Soran, Albert'
'Varga, Richard A.'
'Wagner, Roxana'
_publ_section_title
;
 Hypervalent organobismuth(iii) carbonate, chalcogenides and halides
 with the pendant arm ligands 2-(Me2NCH2)C6H4 and 2,6-(Me2NCH2)2C6H3
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              1831
_journal_page_last               1842
_journal_paper_doi               10.1039/b717127g
_journal_year                    2008
_chemical_formula_moiety         'C28 H24 Bi2 N2 O10 S2 W2, 0.5(C6)'
_chemical_formula_sum            'C31 H24 Bi2 N2 O10 S2 W2'
_chemical_formula_weight         1434.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.254(2)
_cell_angle_beta                 96.479(2)
_cell_angle_gamma                115.567(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8825(10)
_cell_length_b                   12.0273(11)
_cell_length_c                   16.1174(14)
_cell_measurement_reflns_used    4232
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      22.48
_cell_measurement_theta_min      2.43
_cell_volume                     2007.4(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_sigmaI/netI    0.0701
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21482
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    14.606
_exptl_absorpt_correction_T_max  0.073
_exptl_absorpt_correction_T_min  0.044
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker, 2001'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.444
_refine_diff_density_min         -1.406
_refine_diff_density_rms         0.233
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         8136
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0463P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1031
_refine_ls_wR_factor_ref         0.1187
_reflns_number_gt                6359
_reflns_number_total             8136
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717127g.txt
_cod_data_source_block           353rich
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7003551
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
W2 W 1.08195(5) 0.62759(5) 0.80481(3) 0.04984(16) Uani 1 1 d . . .
Bi1 Bi 0.75552(4) 0.28659(4) 0.80852(3) 0.04334(14) Uani 1 1 d . . .
Bi2 Bi 0.89682(4) 0.25047(4) 0.61433(3) 0.03932(13) Uani 1 1 d . . .
C1 C 0.7888(12) 0.1320(11) 0.8528(8) 0.050(3) Uani 1 1 d . . .
C2 C 0.6788(15) 0.0272(13) 0.8567(9) 0.066(4) Uani 1 1 d . . .
C3 C 0.6870(17) -0.0734(14) 0.8846(9) 0.079(5) Uani 1 1 d . . .
H3 H 0.6145 -0.1452 0.8868 0.094 Uiso 1 1 calc R . .
C4 C 0.807(2) -0.0615(16) 0.9086(11) 0.084(5) Uani 1 1 d . . .
H4 H 0.8144 -0.1282 0.9264 0.101 Uiso 1 1 calc R . .
C5 C 0.9152(17) 0.0426(17) 0.9075(10) 0.081(5) Uani 1 1 d . . .
H5 H 0.9945 0.0478 0.9266 0.098 Uiso 1 1 calc R . .
C6 C 0.9064(15) 0.1414(13) 0.8777(9) 0.066(4) Uani 1 1 d . . .
H6 H 0.9793 0.2123 0.8748 0.080 Uiso 1 1 calc R . .
C7 C 0.5495(14) 0.0150(14) 0.8270(10) 0.072(4) Uani 1 1 d . . .
H7A H 0.5230 -0.0203 0.7655 0.087 Uiso 1 1 calc R . .
H7B H 0.4892 -0.0433 0.8546 0.087 Uiso 1 1 calc R . .
C8 C 0.5588(16) 0.1753(16) 0.9395(10) 0.093(6) Uani 1 1 d . . .
H8A H 0.4808 0.1229 0.9552 0.140 Uiso 1 1 calc R . .
H8B H 0.5763 0.2624 0.9554 0.140 Uiso 1 1 calc R . .
H8C H 0.6274 0.1650 0.9689 0.140 Uiso 1 1 calc R . .
C9 C 0.4334(14) 0.1336(17) 0.7973(11) 0.092(6) Uani 1 1 d . . .
H9A H 0.4335 0.1151 0.7371 0.137 Uiso 1 1 calc R . .
H9B H 0.4338 0.2142 0.8134 0.137 Uiso 1 1 calc R . .
H9C H 0.3585 0.0688 0.8090 0.137 Uiso 1 1 calc R . .
C10 C 0.9185(11) 0.0877(11) 0.6529(8) 0.043(3) Uani 1 1 d . . .
C11 C 1.0406(11) 0.1030(12) 0.6713(8) 0.049(3) Uani 1 1 d . . .
C12 C 1.0576(16) 0.0023(16) 0.6961(10) 0.076(5) Uani 1 1 d . . .
H12 H 1.1394 0.0096 0.7067 0.091 Uiso 1 1 calc R . .
C13 C 0.9587(15) -0.1038(14) 0.7047(10) 0.071(5) Uani 1 1 d . . .
H13 H 0.9725 -0.1672 0.7230 0.085 Uiso 1 1 calc R . .
C14 C 0.8408(15) -0.1161(12) 0.6865(9) 0.063(4) Uani 1 1 d . . .
H14 H 0.7726 -0.1903 0.6907 0.076 Uiso 1 1 calc R . .
C15 C 0.8168(11) -0.0216(11) 0.6616(8) 0.050(3) Uani 1 1 d . . .
H15 H 0.7341 -0.0314 0.6510 0.060 Uiso 1 1 calc R . .
C16 C 1.1543(11) 0.2253(13) 0.6696(8) 0.054(3) Uani 1 1 d . . .
H16A H 1.1826 0.2832 0.7256 0.064 Uiso 1 1 calc R . .
H16B H 1.2238 0.2076 0.6573 0.064 Uiso 1 1 calc R . .
C17 C 1.2145(12) 0.4184(12) 0.6171(10) 0.067(4) Uani 1 1 d . . .
H17A H 1.2983 0.4254 0.6180 0.100 Uiso 1 1 calc R . .
H17B H 1.2134 0.4659 0.6706 0.100 Uiso 1 1 calc R . .
H17C H 1.1924 0.4514 0.5709 0.100 Uiso 1 1 calc R . .
C18 C 1.1056(13) 0.2139(14) 0.5161(9) 0.068(4) Uani 1 1 d . . .
H18A H 1.0848 0.2558 0.4755 0.103 Uiso 1 1 calc R . .
H18B H 1.0379 0.1293 0.5067 0.103 Uiso 1 1 calc R . .
H18C H 1.1833 0.2106 0.5089 0.103 Uiso 1 1 calc R . .
C19 C 0.4662(11) 0.3326(12) 0.4851(8) 0.050(3) Uani 1 1 d . . .
C20 C 0.3885(12) 0.1070(13) 0.5484(8) 0.049(3) Uani 1 1 d . . .
C21 C 0.5976(12) 0.1967(13) 0.4542(8) 0.055(3) Uani 1 1 d . . .
C22 C 0.7183(13) 0.4332(14) 0.5811(9) 0.059(4) Uani 1 1 d . . .
C23 C 0.5181(13) 0.3584(14) 0.6654(10) 0.060(4) Uani 1 1 d . . .
C30 C 0.559(6) 0.548(5) 0.942(4) 0.23(2) Uani 1 1 d DU . .
C31 C 0.430(7) 0.484(5) 0.926(2) 0.25(2) Uani 1 1 d DU . .
C32 C 0.364(4) 0.432(4) 0.984(6) 0.34(3) Uani 1 1 d DU . .
N1 N 0.5469(10) 0.1380(11) 0.8466(7) 0.061(3) Uani 1 1 d . . .
N2 N 1.1222(9) 0.2849(10) 0.6045(7) 0.054(3) Uani 1 1 d . . .
O1 O 0.4206(10) 0.3680(10) 0.4388(7) 0.090(4) Uani 1 1 d . . .
O2 O 0.2944(8) 0.0219(9) 0.5411(6) 0.070(3) Uani 1 1 d . . .
O3 O 0.6176(10) 0.1619(11) 0.3902(7) 0.090(4) Uani 1 1 d . . .
O4 O 0.8035(9) 0.5261(11) 0.5896(8) 0.094(4) Uani 1 1 d . . .
O5 O 0.4955(11) 0.4153(12) 0.7195(8) 0.098(4) Uani 1 1 d . . .
S1 S 0.6600(3) 0.1650(3) 0.65267(19) 0.0399(7) Uani 1 1 d . . .
S2 S 0.9925(3) 0.3842(3) 0.7682(2) 0.0425(7) Uani 1 1 d . . .
W1 W 0.55624(4) 0.26945(4) 0.56329(3) 0.03995(14) Uani 1 1 d . . .
O6 O 0.8132(13) 0.6240(12) 0.7986(11) 0.125(5) Uani 1 1 d . . .
O7 O 1.1962(12) 0.9179(10) 0.8779(8) 0.108(4) Uani 1 1 d . . .
O8 O 1.0890(11) 0.6591(14) 0.6140(8) 0.110(5) Uani 1 1 d . . .
O9 O 1.3662(10) 0.6745(12) 0.8188(10) 0.123(5) Uani 1 1 d . . .
O10 O 1.1151(16) 0.6038(15) 0.9969(8) 0.175(8) Uani 1 1 d . . .
C24 C 0.9077(15) 0.6208(12) 0.8014(11) 0.068(4) Uani 1 1 d . . .
C25 C 1.1543(15) 0.8115(13) 0.8502(10) 0.074(5) Uani 1 1 d . . .
C26 C 1.0832(12) 0.6470(13) 0.6835(12) 0.066(4) Uani 1 1 d . . .
C27 C 1.2641(15) 0.6520(14) 0.8130(11) 0.080(5) Uani 1 1 d . . .
C28 C 1.0944(17) 0.6115(13) 0.9258(11) 0.098(6) Uani 1 1 d . . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'
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
C25 W2 C28 87.3(6) . . ?
C25 W2 C26 92.1(6) . . ?
C28 W2 C26 175.7(7) . . ?
C25 W2 C24 87.0(6) . . ?
C28 W2 C24 91.2(8) . . ?
C26 W2 C24 93.0(6) . . ?
C25 W2 C27 87.7(6) . . ?
C28 W2 C27 88.4(8) . . ?
C26 W2 C27 87.4(6) . . ?
C24 W2 C27 174.7(6) . . ?
C25 W2 S2 171.6(5) . . ?
C28 W2 S2 84.4(4) . . ?
C26 W2 S2 96.1(4) . . ?
C24 W2 S2 93.9(4) . . ?
C27 W2 S2 91.3(4) . . ?
C1 Bi1 S1 95.6(3) . . ?
C1 Bi1 N1 73.4(4) . . ?
S1 Bi1 N1 87.9(3) . . ?
C1 Bi1 S2 90.0(3) . . ?
S1 Bi1 S2 89.12(9) . . ?
N1 Bi1 S2 162.8(3) . . ?
C10 Bi2 N2 72.6(4) . . ?
C10 Bi2 S2 90.6(3) . . ?
N2 Bi2 S2 86.5(3) . . ?
C10 Bi2 S1 91.1(3) . . ?
N2 Bi2 S1 163.0(3) . . ?
S2 Bi2 S1 89.22(9) . . ?
C6 C1 C2 121.6(13) . . ?
C6 C1 Bi1 123.7(9) . . ?
C2 C1 Bi1 114.6(10) . . ?
C1 C2 C3 120.0(15) . . ?
C1 C2 C7 121.7(13) . . ?
C3 C2 C7 118.2(14) . . ?
C4 C3 C2 117.0(15) . . ?
C4 C3 H3 121.5 . . ?
C2 C3 H3 121.5 . . ?
C5 C4 C3 123.4(16) . . ?
C5 C4 H4 118.3 . . ?
C3 C4 H4 118.3 . . ?
C4 C5 C6 119.4(16) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C5 118.6(15) . . ?
C1 C6 H6 120.7 . . ?
C5 C6 H6 120.7 . . ?
N1 C7 C2 112.2(11) . . ?
N1 C7 H7A 109.2 . . ?
C2 C7 H7A 109.2 . . ?
N1 C7 H7B 109.2 . . ?
C2 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 120.2(11) . . ?
C11 C10 Bi2 116.2(9) . . ?
C15 C10 Bi2 123.5(8) . . ?
C10 C11 C12 117.7(12) . . ?
C10 C11 C16 121.5(11) . . ?
C12 C11 C16 120.7(11) . . ?
C13 C12 C11 122.0(14) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C14 C13 C12 119.0(14) . . ?
C14 C13 H13 120.5 . . ?
C12 C13 H13 120.5 . . ?
C13 C14 C15 122.1(14) . . ?
C13 C14 H14 118.9 . . ?
C15 C14 H14 118.9 . . ?
C10 C15 C14 118.9(12) . . ?
C10 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
N2 C16 C11 111.2(10) . . ?
N2 C16 H16A 109.4 . . ?
C11 C16 H16A 109.4 . . ?
N2 C16 H16B 109.4 . . ?
C11 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C19 W1 176.3(13) . . ?
O2 C20 W1 176.7(12) . . ?
O3 C21 W1 174.6(12) . . ?
O4 C22 W1 176.3(12) . . ?
O5 C23 W1 174.5(13) . . ?
C32 C30 C31 125(4) 2_667 . ?
C32 C31 C30 123(3) . . ?
C30 C32 C31 112(4) 2_667 . ?
C9 N1 C8 112.9(13) . . ?
C9 N1 C7 112.1(12) . . ?
C8 N1 C7 108.0(12) . . ?
C9 N1 Bi1 113.5(8) . . ?
C8 N1 Bi1 107.8(9) . . ?
C7 N1 Bi1 101.8(8) . . ?
C17 N2 C16 112.8(11) . . ?
C17 N2 C18 110.5(11) . . ?
C16 N2 C18 112.0(10) . . ?
C17 N2 Bi2 113.7(7) . . ?
C16 N2 Bi2 104.2(7) . . ?
C18 N2 Bi2 103.2(7) . . ?
Bi1 S1 W1 113.74(11) . . ?
Bi1 S1 Bi2 91.01(8) . . ?
W1 S1 Bi2 102.52(10) . . ?
Bi2 S2 W2 122.17(12) . . ?
Bi2 S2 Bi1 90.45(9) . . ?
W2 S2 Bi1 106.70(11) . . ?
C19 W1 C23 89.8(5) . . ?
C19 W1 C22 89.6(5) . . ?
C23 W1 C22 86.0(6) . . ?
C19 W1 C21 85.0(5) . . ?
C23 W1 C21 173.5(5) . . ?
C22 W1 C21 90.1(6) . . ?
C19 W1 C20 89.7(5) . . ?
C23 W1 C20 91.8(5) . . ?
C22 W1 C20 177.6(6) . . ?
C21 W1 C20 92.1(5) . . ?
C19 W1 S1 173.9(4) . . ?
C23 W1 S1 94.6(4) . . ?
C22 W1 S1 94.8(4) . . ?
C21 W1 S1 90.9(4) . . ?
C20 W1 S1 86.0(3) . . ?
O6 C24 W2 176.0(13) . . ?
O7 C25 W2 178.9(14) . . ?
O8 C26 W2 177.2(12) . . ?
O9 C27 W2 174.9(14) . . ?
O10 C28 W2 173(2) . . ?
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
W2 C25 1.966(14) . ?
W2 C28 1.985(18) . ?
W2 C26 2.006(18) . ?
W2 C24 2.031(17) . ?
W2 C27 2.041(18) . ?
W2 S2 2.581(3) . ?
Bi1 C1 2.263(13) . ?
Bi1 S1 2.545(3) . ?
Bi1 N1 2.568(10) . ?
Bi1 S2 2.745(3) . ?
Bi2 C10 2.253(11) . ?
Bi2 N2 2.556(9) . ?
Bi2 S2 2.556(3) . ?
Bi2 S1 2.731(3) . ?
C1 C6 1.360(18) . ?
C1 C2 1.387(18) . ?
C2 C3 1.393(19) . ?
C2 C7 1.493(19) . ?
C3 C4 1.37(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.36(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.390(19) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 N1 1.476(17) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 N1 1.464(17) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N1 1.462(17) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.372(15) . ?
C10 C15 1.391(16) . ?
C11 C12 1.419(17) . ?
C11 C16 1.515(17) . ?
C12 C13 1.35(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.335(18) . ?
C13 H13 0.9300 . ?
C14 C15 1.392(17) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 N2 1.467(14) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 N2 1.465(15) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N2 1.482(15) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 O1 1.115(13) . ?
C19 W1 2.004(13) . ?
C20 O2 1.120(14) . ?
C20 W1 2.056(13) . ?
C21 O3 1.139(14) . ?
C21 W1 2.042(14) . ?
C22 O4 1.111(15) . ?
C22 W1 2.022(15) . ?
C23 O5 1.150(16) . ?
C23 W1 2.019(16) . ?
C30 C32 1.34(5) 2_667 ?
C30 C31 1.35(2) . ?
C31 C32 1.35(2) . ?
C32 C30 1.34(5) 2_667 ?
S1 W1 2.587(3) . ?
O6 C24 1.136(17) . ?
O7 C25 1.140(15) . ?
O8 C26 1.159(18) . ?
O9 C27 1.112(17) . ?
O10 C28 1.171(18) . ?
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
S1 Bi1 C1 C6 111.4(11) . . . . ?
N1 Bi1 C1 C6 -162.5(12) . . . . ?
S2 Bi1 C1 C6 22.3(11) . . . . ?
S1 Bi1 C1 C2 -71.5(10) . . . . ?
N1 Bi1 C1 C2 14.6(9) . . . . ?
S2 Bi1 C1 C2 -160.6(10) . . . . ?
C6 C1 C2 C3 -2(2) . . . . ?
Bi1 C1 C2 C3 -178.9(11) . . . . ?
C6 C1 C2 C7 -178.2(14) . . . . ?
Bi1 C1 C2 C7 4.7(17) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C7 C2 C3 C4 177.7(14) . . . . ?
C2 C3 C4 C5 1(3) . . . . ?
C3 C4 C5 C6 -3(3) . . . . ?
C2 C1 C6 C5 0(2) . . . . ?
Bi1 C1 C6 C5 177.0(11) . . . . ?
C4 C5 C6 C1 2(2) . . . . ?
C1 C2 C7 N1 -36.4(19) . . . . ?
C3 C2 C7 N1 147.1(13) . . . . ?
N2 Bi2 C10 C11 14.8(9) . . . . ?
S2 Bi2 C10 C11 -71.3(9) . . . . ?
S1 Bi2 C10 C11 -160.5(9) . . . . ?
N2 Bi2 C10 C15 -167.7(11) . . . . ?
S2 Bi2 C10 C15 106.2(10) . . . . ?
S1 Bi2 C10 C15 17.0(10) . . . . ?
C15 C10 C11 C12 2.2(19) . . . . ?
Bi2 C10 C11 C12 179.8(10) . . . . ?
C15 C10 C11 C16 -174.9(12) . . . . ?
Bi2 C10 C11 C16 2.7(16) . . . . ?
C10 C11 C12 C13 -2(2) . . . . ?
C16 C11 C12 C13 174.7(14) . . . . ?
C11 C12 C13 C14 2(2) . . . . ?
C12 C13 C14 C15 -2(2) . . . . ?
C11 C10 C15 C14 -2.0(19) . . . . ?
Bi2 C10 C15 C14 -179.4(10) . . . . ?
C13 C14 C15 C10 2(2) . . . . ?
C10 C11 C16 N2 -32.5(17) . . . . ?
C12 C11 C16 N2 150.5(12) . . . . ?
C32 C30 C31 C32 1(9) 2_667 . . . ?
C30 C31 C32 C30 -1(8) . . . 2_667 ?
C2 C7 N1 C9 163.6(12) . . . . ?
C2 C7 N1 C8 -71.4(15) . . . . ?
C2 C7 N1 Bi1 42.0(13) . . . . ?
C1 Bi1 N1 C9 -151.0(11) . . . . ?
S1 Bi1 N1 C9 -54.5(10) . . . . ?
S2 Bi1 N1 C9 -134.6(10) . . . . ?
C1 Bi1 N1 C8 83.2(10) . . . . ?
S1 Bi1 N1 C8 179.7(10) . . . . ?
S2 Bi1 N1 C8 99.6(13) . . . . ?
C1 Bi1 N1 C7 -30.3(8) . . . . ?
S1 Bi1 N1 C7 66.2(8) . . . . ?
S2 Bi1 N1 C7 -13.9(15) . . . . ?
C11 C16 N2 C17 163.1(11) . . . . ?
C11 C16 N2 C18 -71.6(13) . . . . ?
C11 C16 N2 Bi2 39.3(11) . . . . ?
C10 Bi2 N2 C17 -152.6(10) . . . . ?
S2 Bi2 N2 C17 -60.9(9) . . . . ?
S1 Bi2 N2 C17 -136.5(9) . . . . ?
C10 Bi2 N2 C16 -29.5(8) . . . . ?
S2 Bi2 N2 C16 62.3(7) . . . . ?
S1 Bi2 N2 C16 -13.3(14) . . . . ?
C10 Bi2 N2 C18 87.6(8) . . . . ?
S2 Bi2 N2 C18 179.4(8) . . . . ?
S1 Bi2 N2 C18 103.8(11) . . . . ?
C1 Bi1 S1 W1 169.1(3) . . . . ?
N1 Bi1 S1 W1 96.0(3) . . . . ?
S2 Bi1 S1 W1 -100.96(12) . . . . ?
C1 Bi1 S1 Bi2 -86.7(3) . . . . ?
N1 Bi1 S1 Bi2 -159.8(3) . . . . ?
S2 Bi1 S1 Bi2 3.20(9) . . . . ?
C10 Bi2 S1 Bi1 87.2(3) . . . . ?
N2 Bi2 S1 Bi1 71.8(9) . . . . ?
S2 Bi2 S1 Bi1 -3.44(9) . . . . ?
C10 Bi2 S1 W1 -158.2(3) . . . . ?
N2 Bi2 S1 W1 -173.6(8) . . . . ?
S2 Bi2 S1 W1 111.17(11) . . . . ?
C10 Bi2 S2 W2 162.0(3) . . . . ?
N2 Bi2 S2 W2 89.5(3) . . . . ?
S1 Bi2 S2 W2 -106.96(13) . . . . ?
C10 Bi2 S2 Bi1 -87.9(3) . . . . ?
N2 Bi2 S2 Bi1 -160.4(2) . . . . ?
S1 Bi2 S2 Bi1 3.18(9) . . . . ?
C28 W2 S2 Bi2 171.6(6) . . . . ?
C26 W2 S2 Bi2 -12.6(4) . . . . ?
C24 W2 S2 Bi2 80.8(5) . . . . ?
C27 W2 S2 Bi2 -100.1(5) . . . . ?
C28 W2 S2 Bi1 70.2(6) . . . . ?
C26 W2 S2 Bi1 -114.1(4) . . . . ?
C24 W2 S2 Bi1 -20.7(5) . . . . ?
C27 W2 S2 Bi1 158.4(5) . . . . ?
C1 Bi1 S2 Bi2 92.2(3) . . . . ?
S1 Bi1 S2 Bi2 -3.42(9) . . . . ?
N1 Bi1 S2 Bi2 76.5(9) . . . . ?
C1 Bi1 S2 W2 -143.9(3) . . . . ?
S1 Bi1 S2 W2 120.52(11) . . . . ?
N1 Bi1 S2 W2 -159.6(9) . . . . ?
Bi1 S1 W1 C23 -26.2(4) . . . . ?
Bi2 S1 W1 C23 -122.9(4) . . . . ?
Bi1 S1 W1 C22 60.2(4) . . . . ?
Bi2 S1 W1 C22 -36.6(4) . . . . ?
Bi1 S1 W1 C21 150.4(4) . . . . ?
Bi2 S1 W1 C21 53.6(4) . . . . ?
Bi1 S1 W1 C20 -117.6(4) . . . . ?
Bi2 S1 W1 C20 145.6(4) . . . . ?
