#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:23:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180010 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/04/7030407.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_7030407
loop_
_publ_author_name
'Breunig, Hans J.'
'Nema, Mihai G.'
'Silvestru, Cristian'
'Soran, Albert P.'
'Varga, Richard A.'
_publ_section_title
;
 Organobismuth compounds with the pincer ligand 2,6-(Me2NCH2)2C6H3:
 monoorganobismuth(III) carbonate, sulfate, nitrate, and a
 diorganobismuthenium(III) salt.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11277
_journal_page_last               11284
_journal_paper_doi               10.1039/c0dt00927j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C26 H38 Bi2 N4 O6, C H2 Cl2'
_chemical_formula_sum            'C27 H40 Bi2 Cl2 N4 O6'
_chemical_formula_weight         1005.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.410(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8147(16)
_cell_length_b                   17.108(4)
_cell_length_c                   21.837(5)
_cell_measurement_reflns_used    68
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      14.44
_cell_measurement_theta_min      2.23
_cell_volume                     3228.0(12)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2θ/ω 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  0.0772
_diffrn_reflns_av_sigmaI/netI    0.0960
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13630
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.24
_diffrn_standards_decay_%        'random variation +/-2.0'
_diffrn_standards_interval_count 197
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    11.098
_exptl_absorpt_correction_T_max  0.112
_exptl_absorpt_correction_T_min  0.048
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
'N. Walker and D. Stuart, Acta Crystallogr.Sect A 1983, 39, 158-166.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.069
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.698
_refine_diff_density_min         -2.005
_refine_diff_density_rms         0.250
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         5677
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0589P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1091
_refine_ls_wR_factor_ref         0.1191
_reflns_number_gt                4212
_reflns_number_total             5677
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00927j.txt
_cod_data_source_block           nm3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3228.1(13)
_cod_original_sg_symbol_H-M      'P2(1)/c '
_cod_database_code               7030407
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Bi1 Bi 0.39955(4) 0.16786(2) 0.15968(2) 0.02167(13) Uani 1 1 d .
Bi2 Bi 0.26557(4) -0.06386(2) 0.31359(2) 0.02455(14) Uani 1 1 d .
C1 C 0.3846(12) 0.0610(7) 0.0994(6) 0.029(3) Uani 1 1 d .
C2 C 0.2595(12) 0.0522(7) 0.0488(6) 0.029(3) Uani 1 1 d .
C3 C 0.2590(14) -0.0123(7) 0.0113(6) 0.040(3) Uani 1 1 d .
H3 H 0.1793 -0.0184 -0.0247 0.048 Uiso 1 1 calc R
C4 C 0.3754(15) -0.0693(7) 0.0257(7) 0.037(3) Uani 1 1 d .
H4 H 0.3744 -0.1138 -0.0005 0.044 Uiso 1 1 calc R
C5 C 0.4905(13) -0.0604(7) 0.0776(6) 0.032(3) Uani 1 1 d .
H5 H 0.5680 -0.0995 0.0874 0.039 Uiso 1 1 calc R
C6 C 0.4962(12) 0.0052(6) 0.1166(6) 0.025(3) Uani 1 1 d .
C10 C 0.6113(12) 0.0126(6) 0.1751(6) 0.032(3) Uani 1 1 d .
H10A H 0.7049 -0.0175 0.1712 0.038 Uiso 1 1 calc R
H10B H 0.5685 -0.0107 0.2096 0.038 Uiso 1 1 calc R
C12 C 0.7168(13) 0.1008(8) 0.2589(7) 0.044(4) Uani 1 1 d .
H12A H 0.7988 0.0620 0.2716 0.067 Uiso 1 1 calc R
H12B H 0.6331 0.0915 0.2816 0.067 Uiso 1 1 calc R
H12C H 0.7590 0.1534 0.2684 0.067 Uiso 1 1 calc R
C11 C 0.7709(12) 0.1191(7) 0.1567(7) 0.034(3) Uani 1 1 d .
H11A H 0.8690 0.0925 0.1729 0.051 Uiso 1 1 calc R
H11B H 0.7856 0.1758 0.1613 0.051 Uiso 1 1 calc R
H11C H 0.7363 0.1062 0.1124 0.051 Uiso 1 1 calc R
C7 C 0.1269(13) 0.1113(7) 0.0394(6) 0.032(3) Uani 1 1 d .
H7A H 0.0729 0.1102 -0.0048 0.038 Uiso 1 1 calc R
H7B H 0.0517 0.0956 0.0653 0.038 Uiso 1 1 calc R
C9 C 0.0529(13) 0.2379(8) 0.0671(7) 0.041(3) Uani 1 1 d .
H9A H -0.0277 0.2394 0.0291 0.061 Uiso 1 1 calc R
H9B H 0.0888 0.2911 0.0784 0.061 Uiso 1 1 calc R
H9C H 0.0106 0.2149 0.1012 0.061 Uiso 1 1 calc R
C8 C 0.2430(14) 0.2248(7) 0.0041(6) 0.037(3) Uani 1 1 d .
H8A H 0.1580 0.2371 -0.0308 0.055 Uiso 1 1 calc R
H8B H 0.3124 0.1867 -0.0096 0.055 Uiso 1 1 calc R
H8C H 0.3007 0.2726 0.0181 0.055 Uiso 1 1 calc R
C25 C 0.2156(11) 0.0848(6) 0.2258(5) 0.016(2) Uani 1 1 d .
C13 C 0.0248(10) -0.0997(6) 0.3177(5) 0.018(2) Uani 1 1 d .
C18 C -0.0407(14) -0.0665(7) 0.3637(6) 0.031(3) Uani 1 1 d .
C17 C -0.1990(13) -0.0776(7) 0.3611(7) 0.036(3) Uani 1 1 d .
H17 H -0.2494 -0.0539 0.3909 0.043 Uiso 1 1 calc R
C16 C -0.2822(12) -0.1250(8) 0.3129(7) 0.037(3) Uani 1 1 d .
H16 H -0.3891 -0.1341 0.3114 0.045 Uiso 1 1 calc R
C15 C -0.2158(13) -0.1571(7) 0.2697(7) 0.040(4) Uani 1 1 d .
H15 H -0.2758 -0.1878 0.2376 0.048 Uiso 1 1 calc R
C14 C -0.0556(11) -0.1461(6) 0.2711(6) 0.027(3) Uani 1 1 d .
C19 C 0.0278(15) -0.1844(7) 0.2256(7) 0.040(3) Uani 1 1 d .
H19A H 0.0823 -0.2315 0.2451 0.048 Uiso 1 1 calc R
H19B H -0.0485 -0.2014 0.1884 0.048 Uiso 1 1 calc R
C20 C 0.2535(17) -0.1755(9) 0.1782(8) 0.054(4) Uani 1 1 d .
H20A H 0.1977 -0.2100 0.1456 0.081 Uiso 1 1 calc R
H20B H 0.3182 -0.2069 0.2108 0.081 Uiso 1 1 calc R
H20C H 0.3192 -0.1397 0.1599 0.081 Uiso 1 1 calc R
C21 C 0.0600(16) -0.0771(8) 0.1576(6) 0.041(3) Uani 1 1 d .
H21A H 0.1313 -0.0366 0.1487 0.062 Uiso 1 1 calc R
H21B H -0.0260 -0.0526 0.1728 0.062 Uiso 1 1 calc R
H21C H 0.0196 -0.1065 0.1194 0.062 Uiso 1 1 calc R
C22 C 0.0589(14) -0.0264(8) 0.4188(7) 0.042(3) Uani 1 1 d .
H22A H -0.0066 0.0083 0.4390 0.051 Uiso 1 1 calc R
H22B H 0.1055 -0.0662 0.4498 0.051 Uiso 1 1 calc R
C24 C 0.3160(16) 0.0306(8) 0.4533(7) 0.048(4) Uani 1 1 d .
H24A H 0.4040 0.0537 0.4386 0.073 Uiso 1 1 calc R
H24B H 0.3458 -0.0204 0.4723 0.073 Uiso 1 1 calc R
H24C H 0.2848 0.0653 0.4844 0.073 Uiso 1 1 calc R
C23 C 0.1241(15) 0.0979(7) 0.3785(7) 0.044(4) Uani 1 1 d .
H23A H 0.1085 0.1289 0.4145 0.066 Uiso 1 1 calc R
H23B H 0.0252 0.0920 0.3492 0.066 Uiso 1 1 calc R
H23C H 0.1982 0.1246 0.3577 0.066 Uiso 1 1 calc R
C26 C 0.3860(12) -0.2000(7) 0.3805(7) 0.033(3) Uani 1 1 d .
C27 C 0.6250(15) 0.2091(9) 0.4499(8) 0.051(4) Uani 1 1 d .
H27A H 0.5866 0.1907 0.4871 0.061 Uiso 1 1 calc R
H27B H 0.6802 0.2591 0.4610 0.061 Uiso 1 1 calc R
Cl1 Cl 0.7549(5) 0.1400(3) 0.4305(2) 0.0664(12) Uani 1 1 d .
Cl2 Cl 0.4682(4) 0.2251(2) 0.3889(2) 0.0550(10) Uani 1 1 d .
N2 N 0.6559(10) 0.0940(6) 0.1911(5) 0.031(2) Uani 1 1 d .
N1 N 0.1796(9) 0.1916(5) 0.0561(5) 0.028(2) Uani 1 1 d .
N3 N 0.1426(11) -0.1305(6) 0.2054(5) 0.033(2) Uani 1 1 d .
N4 N 0.1844(11) 0.0206(5) 0.3997(5) 0.030(2) Uani 1 1 d .
O6 O 0.5456(8) 0.2414(4) 0.0896(4) 0.0286(19) Uani 1 1 d .
O2 O 0.1541(8) 0.1303(5) 0.1825(4) 0.033(2) Uani 1 1 d .
O1 O 0.3638(8) 0.0789(5) 0.2412(4) 0.031(2) Uani 1 1 d .
O3 O 0.1310(8) 0.0429(5) 0.2541(4) 0.031(2) Uani 1 1 d .
O4 O 0.3467(8) -0.1997(5) 0.3211(4) 0.0282(19) Uani 1 1 d .
O5 O 0.3554(9) -0.1366(5) 0.4103(4) 0.0317(19) 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'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C1 Bi1 O2 87.3(3) . .
C1 Bi1 O1 85.3(4) . .
O2 Bi1 O1 54.8(3) . .
C1 Bi1 O6 91.7(3) . .
O2 Bi1 O6 148.0(3) . .
O1 Bi1 O6 157.0(2) . .
C1 Bi1 N2 72.6(4) . .
O2 Bi1 N2 126.6(3) . .
O1 Bi1 N2 74.2(3) . .
O6 Bi1 N2 83.1(3) . .
C1 Bi1 N1 71.5(4) . .
O2 Bi1 N1 71.8(3) . .
O1 Bi1 N1 122.4(3) . .
O6 Bi1 N1 77.6(3) . .
N2 Bi1 N1 138.3(3) . .
C1 Bi1 C25 85.1(4) . .
O2 Bi1 C25 27.1(3) . .
O1 Bi1 C25 27.7(3) . .
O6 Bi1 C25 174.1(3) . .
N2 Bi1 C25 100.6(3) . .
N1 Bi1 C25 96.7(3) . .
C13 Bi2 O3 81.9(3) . .
C13 Bi2 O4 90.2(3) . .
O3 Bi2 O4 150.2(3) . .
C13 Bi2 O5 88.5(3) . .
O3 Bi2 O5 153.0(3) . .
O4 Bi2 O5 54.1(3) . .
C13 Bi2 N4 73.8(4) . .
O3 Bi2 N4 77.9(3) . .
O4 Bi2 N4 127.4(3) . .
O5 Bi2 N4 75.2(3) . .
C13 Bi2 N3 72.1(4) . .
O3 Bi2 N3 77.0(3) . .
O4 Bi2 N3 73.2(3) . .
O5 Bi2 N3 123.8(3) . .
N4 Bi2 N3 140.0(3) . .
C13 Bi2 C26 90.9(3) . .
O3 Bi2 C26 172.5(3) . .
O4 Bi2 C26 26.6(3) . .
O5 Bi2 C26 27.7(3) . .
N4 Bi2 C26 102.3(3) . .
N3 Bi2 C26 98.7(3) . .
C6 C1 C2 123.4(11) . .
C6 C1 Bi1 116.9(8) . .
C2 C1 Bi1 119.6(8) . .
C3 C2 C1 117.7(11) . .
C3 C2 C7 122.6(11) . .
C1 C2 C7 119.6(10) . .
C2 C3 C4 120.5(12) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C5 C4 C3 119.7(12) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C4 C5 C6 121.5(11) . .
C4 C5 H5 119.3 . .
C6 C5 H5 119.3 . .
C1 C6 C5 116.9(11) . .
C1 C6 C10 120.9(10) . .
C5 C6 C10 122.1(11) . .
C6 C10 N2 113.1(9) . .
C6 C10 H10A 108.9 . .
N2 C10 H10A 108.9 . .
C6 C10 H10B 108.9 . .
N2 C10 H10B 108.9 . .
H10A C10 H10B 107.8 . .
N2 C12 H12A 109.5 . .
N2 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N2 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N2 C11 H11A 109.5 . .
N2 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N2 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N1 C7 C2 112.9(9) . .
N1 C7 H7A 109.0 . .
C2 C7 H7A 109.0 . .
N1 C7 H7B 109.0 . .
C2 C7 H7B 109.0 . .
H7A C7 H7B 107.8 . .
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 . .
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 . .
O2 C25 O3 120.3(9) . .
O2 C25 O1 120.5(9) . .
O3 C25 O1 119.2(9) . .
O2 C25 Bi1 60.1(5) . .
O3 C25 Bi1 176.5(8) . .
O1 C25 Bi1 60.5(5) . .
C14 C13 C18 123.4(10) . .
C14 C13 Bi2 119.0(8) . .
C18 C13 Bi2 117.2(8) . .
C13 C18 C17 118.2(12) . .
C13 C18 C22 120.6(11) . .
C17 C18 C22 120.9(12) . .
C18 C17 C16 118.4(12) . .
C18 C17 H17 120.8 . .
C16 C17 H17 120.8 . .
C15 C16 C17 122.1(11) . .
C15 C16 H16 119.0 . .
C17 C16 H16 119.0 . .
C16 C15 C14 120.6(13) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C13 C14 C15 117.2(12) . .
C13 C14 C19 119.7(9) . .
C15 C14 C19 123.0(12) . .
N3 C19 C14 112.0(9) . .
N3 C19 H19A 109.2 . .
C14 C19 H19A 109.2 . .
N3 C19 H19B 109.2 . .
C14 C19 H19B 109.2 . .
H19A C19 H19B 107.9 . .
N3 C20 H20A 109.5 . .
N3 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N3 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N3 C21 H21A 109.5 . .
N3 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
N3 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N4 C22 C18 111.6(11) . .
N4 C22 H22A 109.3 . .
C18 C22 H22A 109.3 . .
N4 C22 H22B 109.3 . .
C18 C22 H22B 109.3 . .
H22A C22 H22B 108.0 . .
N4 C24 H24A 109.5 . .
N4 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
N4 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
N4 C23 H23A 109.5 . .
N4 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N4 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O4 C26 O6 121.8(11) . 2_645
O4 C26 O5 117.3(12) . .
O6 C26 O5 120.9(13) 2_645 .
O4 C26 Bi2 58.4(6) . .
O6 C26 Bi2 174.0(7) 2_645 .
O5 C26 Bi2 59.2(6) . .
Cl2 C27 Cl1 112.2(9) . .
Cl2 C27 H27A 109.2 . .
Cl1 C27 H27A 109.2 . .
Cl2 C27 H27B 109.2 . .
Cl1 C27 H27B 109.2 . .
H27A C27 H27B 107.9 . .
C11 N2 C10 110.0(10) . .
C11 N2 C12 110.2(9) . .
C10 N2 C12 109.8(10) . .
C11 N2 Bi1 112.8(7) . .
C10 N2 Bi1 102.9(6) . .
C12 N2 Bi1 110.9(7) . .
C9 N1 C7 109.9(9) . .
C9 N1 C8 110.1(9) . .
C7 N1 C8 108.5(10) . .
C9 N1 Bi1 113.5(8) . .
C7 N1 Bi1 101.8(7) . .
C8 N1 Bi1 112.6(6) . .
C20 N3 C21 108.4(11) . .
C20 N3 C19 109.9(10) . .
C21 N3 C19 108.8(10) . .
C20 N3 Bi2 113.6(8) . .
C21 N3 Bi2 115.1(7) . .
C19 N3 Bi2 100.6(8) . .
C23 N4 C24 108.8(10) . .
C23 N4 C22 109.4(9) . .
C24 N4 C22 110.4(11) . .
C23 N4 Bi2 114.2(9) . .
C24 N4 Bi2 110.7(8) . .
C22 N4 Bi2 103.3(7) . .
C26 O6 Bi1 109.1(8) 2_655 .
C25 O2 Bi1 92.8(5) . .
C25 O1 Bi1 91.8(6) . .
C25 O3 Bi2 114.4(6) . .
C26 O4 Bi2 95.1(7) . .
C26 O5 Bi2 93.1(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 C1 2.242(11) .
Bi1 O2 2.402(7) .
Bi1 O1 2.411(8) .
Bi1 O6 2.522(8) .
Bi1 N2 2.561(9) .
Bi1 N1 2.703(10) .
Bi1 C25 2.768(10) .
Bi2 C13 2.228(9) .
Bi2 O3 2.412(7) .
Bi2 O4 2.428(8) .
Bi2 O5 2.444(8) .
Bi2 N4 2.583(10) .
Bi2 N3 2.653(11) .
Bi2 C26 2.841(14) .
C1 C6 1.369(15) .
C1 C2 1.406(16) .
C2 C3 1.374(17) .
C2 C7 1.528(16) .
C3 C4 1.405(17) .
C3 H3 0.9500 .
C4 C5 1.373(18) .
C4 H4 0.9500 .
C5 C6 1.403(16) .
C5 H5 0.9500 .
C6 C10 1.470(16) .
C10 N2 1.471(15) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C12 N2 1.477(18) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C11 N2 1.442(14) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C7 N1 1.473(14) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C9 N1 1.428(14) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C8 N1 1.475(16) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C25 O2 1.262(13) .
C25 O3 1.278(12) .
C25 O1 1.287(12) .
C13 C14 1.373(16) .
C13 C18 1.375(16) .
C18 C17 1.399(16) .
C18 C22 1.507(18) .
C17 C16 1.413(19) .
C17 H17 0.9500 .
C16 C15 1.323(19) .
C16 H16 0.9500 .
C15 C14 1.419(15) .
C15 H15 0.9500 .
C14 C19 1.499(18) .
C19 N3 1.498(16) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 N3 1.460(16) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 N3 1.467(16) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 N4 1.493(15) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C24 N4 1.485(15) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C23 N4 1.467(15) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C26 O4 1.275(16) .
C26 O6 1.280(15) 2_645
C26 O5 1.320(14) .
C27 Cl2 1.742(15) .
C27 Cl1 1.755(14) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
O6 C26 1.280(15) 2_655
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_4
O2 Bi1 C1 C6 -117.1(9) . .
O1 Bi1 C1 C6 -62.3(9) . .
O6 Bi1 C1 C6 94.9(9) . .
N2 Bi1 C1 C6 12.7(8) . .
N1 Bi1 C1 C6 171.2(10) . .
C25 Bi1 C1 C6 -90.1(9) . .
O2 Bi1 C1 C2 59.5(9) . .
O1 Bi1 C1 C2 114.4(9) . .
O6 Bi1 C1 C2 -88.5(9) . .
N2 Bi1 C1 C2 -170.7(10) . .
N1 Bi1 C1 C2 -12.1(9) . .
C25 Bi1 C1 C2 86.6(9) . .
C6 C1 C2 C3 -6.7(18) . .
Bi1 C1 C2 C3 176.8(9) . .
C6 C1 C2 C7 170.1(11) . .
Bi1 C1 C2 C7 -6.3(15) . .
C1 C2 C3 C4 3.6(18) . .
C7 C2 C3 C4 -173.2(11) . .
C2 C3 C4 C5 0.0(19) . .
C3 C4 C5 C6 -0.9(18) . .
C2 C1 C6 C5 5.8(17) . .
Bi1 C1 C6 C5 -177.6(8) . .
C2 C1 C6 C10 -171.1(11) . .
Bi1 C1 C6 C10 5.4(14) . .
C4 C5 C6 C1 -1.9(17) . .
C4 C5 C6 C10 175.0(11) . .
C1 C6 C10 N2 -34.1(15) . .
C5 C6 C10 N2 149.1(10) . .
C3 C2 C7 N1 -147.0(12) . .
C1 C2 C7 N1 36.3(16) . .
C1 Bi1 C25 O2 -93.6(7) . .
O1 Bi1 C25 O2 177.3(11) . .
N2 Bi1 C25 O2 -164.9(7) . .
N1 Bi1 C25 O2 -22.9(7) . .
C1 Bi1 C25 O1 89.1(7) . .
O2 Bi1 C25 O1 -177.3(11) . .
N2 Bi1 C25 O1 17.8(7) . .
N1 Bi1 C25 O1 159.7(7) . .
O3 Bi2 C13 C14 88.7(8) . .
O4 Bi2 C13 C14 -62.5(8) . .
O5 Bi2 C13 C14 -116.6(8) . .
N4 Bi2 C13 C14 168.4(9) . .
N3 Bi2 C13 C14 9.8(8) . .
C26 Bi2 C13 C14 -89.0(9) . .
O3 Bi2 C13 C18 -84.3(8) . .
O4 Bi2 C13 C18 124.5(8) . .
O5 Bi2 C13 C18 70.4(8) . .
N4 Bi2 C13 C18 -4.6(8) . .
N3 Bi2 C13 C18 -163.2(9) . .
C26 Bi2 C13 C18 98.0(9) . .
C14 C13 C18 C17 -3.2(18) . .
Bi2 C13 C18 C17 169.5(9) . .
C14 C13 C18 C22 170.7(11) . .
Bi2 C13 C18 C22 -16.6(14) . .
C13 C18 C17 C16 2.7(18) . .
C22 C18 C17 C16 -171.2(11) . .
C18 C17 C16 C15 -2(2) . .
C17 C16 C15 C14 1(2) . .
C18 C13 C14 C15 2.6(17) . .
Bi2 C13 C14 C15 -170.0(9) . .
C18 C13 C14 C19 -175.7(11) . .
Bi2 C13 C14 C19 11.8(14) . .
C16 C15 C14 C13 -1.5(19) . .
C16 C15 C14 C19 176.6(12) . .
C13 C14 C19 N3 -41.5(16) . .
C15 C14 C19 N3 140.4(12) . .
C13 C18 C22 N4 40.2(15) . .
C17 C18 C22 N4 -146.0(11) . .
C13 Bi2 C26 O4 88.7(6) . .
O5 Bi2 C26 O4 173.7(10) . .
N4 Bi2 C26 O4 162.3(6) . .
N3 Bi2 C26 O4 16.6(6) . .
C13 Bi2 C26 O5 -85.0(6) . .
O4 Bi2 C26 O5 -173.7(10) . .
N4 Bi2 C26 O5 -11.3(6) . .
N3 Bi2 C26 O5 -157.0(6) . .
C6 C10 N2 C11 -81.6(11) . .
C6 C10 N2 C12 156.9(10) . .
C6 C10 N2 Bi1 38.8(11) . .
C1 Bi1 N2 C11 91.2(9) . .
O2 Bi1 N2 C11 164.1(7) . .
O1 Bi1 N2 C11 -178.8(9) . .
O6 Bi1 N2 C11 -2.7(8) . .
N1 Bi1 N2 C11 59.8(9) . .
C25 Bi1 N2 C11 172.7(8) . .
C1 Bi1 N2 C10 -27.2(8) . .
O2 Bi1 N2 C10 45.7(9) . .
O1 Bi1 N2 C10 62.7(7) . .
O6 Bi1 N2 C10 -121.2(8) . .
N1 Bi1 N2 C10 -58.7(9) . .
C25 Bi1 N2 C10 54.2(8) . .
C1 Bi1 N2 C12 -144.6(8) . .
O2 Bi1 N2 C12 -71.7(8) . .
O1 Bi1 N2 C12 -54.7(7) . .
O6 Bi1 N2 C12 121.4(8) . .
N1 Bi1 N2 C12 -176.1(7) . .
C25 Bi1 N2 C12 -63.2(8) . .
C2 C7 N1 C9 -160.2(11) . .
C2 C7 N1 C8 79.3(12) . .
C2 C7 N1 Bi1 -39.7(11) . .
C1 Bi1 N1 C9 145.9(8) . .
O2 Bi1 N1 C9 52.6(7) . .
O1 Bi1 N1 C9 74.4(8) . .
O6 Bi1 N1 C9 -118.0(8) . .
N2 Bi1 N1 C9 177.6(7) . .
C25 Bi1 N1 C9 63.4(8) . .
C1 Bi1 N1 C7 27.9(7) . .
O2 Bi1 N1 C7 -65.4(7) . .
O1 Bi1 N1 C7 -43.6(8) . .
O6 Bi1 N1 C7 124.0(7) . .
N2 Bi1 N1 C7 59.6(8) . .
C25 Bi1 N1 C7 -54.6(7) . .
C1 Bi1 N1 C8 -88.1(8) . .
O2 Bi1 N1 C8 178.6(8) . .
O1 Bi1 N1 C8 -159.7(7) . .
O6 Bi1 N1 C8 7.9(7) . .
N2 Bi1 N1 C8 -56.4(9) . .
C25 Bi1 N1 C8 -170.7(7) . .
C14 C19 N3 C20 161.9(11) . .
C14 C19 N3 C21 -79.5(13) . .
C14 C19 N3 Bi2 41.8(11) . .
C13 Bi2 N3 C20 -145.0(9) . .
O3 Bi2 N3 C20 129.5(9) . .
O4 Bi2 N3 C20 -49.2(9) . .
O5 Bi2 N3 C20 -69.4(9) . .
N4 Bi2 N3 C20 -178.0(8) . .
C26 Bi2 N3 C20 -56.8(9) . .
C13 Bi2 N3 C21 89.1(8) . .
O3 Bi2 N3 C21 3.6(8) . .
O4 Bi2 N3 C21 -175.0(9) . .
O5 Bi2 N3 C21 164.7(8) . .
N4 Bi2 N3 C21 56.2(10) . .
C26 Bi2 N3 C21 177.3(8) . .
C13 Bi2 N3 C19 -27.6(6) . .
O3 Bi2 N3 C19 -113.2(6) . .
O4 Bi2 N3 C19 68.2(6) . .
O5 Bi2 N3 C19 47.9(7) . .
N4 Bi2 N3 C19 -60.6(8) . .
C26 Bi2 N3 C19 60.5(6) . .
C18 C22 N4 C23 84.7(13) . .
C18 C22 N4 C24 -155.6(11) . .
C18 C22 N4 Bi2 -37.3(11) . .
C13 Bi2 N4 C23 -95.7(8) . .
O3 Bi2 N4 C23 -10.7(7) . .
O4 Bi2 N4 C23 -173.2(7) . .
O5 Bi2 N4 C23 171.6(8) . .
N3 Bi2 N4 C23 -63.0(9) . .
C26 Bi2 N4 C23 177.0(8) . .
C13 Bi2 N4 C24 141.2(9) . .
O3 Bi2 N4 C24 -133.9(8) . .
O4 Bi2 N4 C24 63.7(9) . .
O5 Bi2 N4 C24 48.4(8) . .
N3 Bi2 N4 C24 173.8(7) . .
C26 Bi2 N4 C24 53.8(9) . .
C13 Bi2 N4 C22 23.0(7) . .
O3 Bi2 N4 C22 108.0(7) . .
O4 Bi2 N4 C22 -54.5(8) . .
O5 Bi2 N4 C22 -69.8(7) . .
N3 Bi2 N4 C22 55.7(9) . .
C26 Bi2 N4 C22 -64.3(7) . .
C1 Bi1 O6 C26 -161.5(7) . 2_655
O2 Bi1 O6 C26 110.9(8) . 2_655
O1 Bi1 O6 C26 -79.8(10) . 2_655
N2 Bi1 O6 C26 -89.3(7) . 2_655
N1 Bi1 O6 C26 127.9(7) . 2_655
O3 C25 O2 Bi1 -175.9(9) . .
O1 C25 O2 Bi1 2.7(11) . .
C1 Bi1 O2 C25 84.6(7) . .
O1 Bi1 O2 C25 -1.5(6) . .
O6 Bi1 O2 C25 173.4(6) . .
N2 Bi1 O2 C25 18.6(8) . .
N1 Bi1 O2 C25 156.0(7) . .
O2 C25 O1 Bi1 -2.7(11) . .
O3 C25 O1 Bi1 176.0(9) . .
C1 Bi1 O1 C25 -88.5(7) . .
O2 Bi1 O1 C25 1.5(6) . .
O6 Bi1 O1 C25 -171.6(6) . .
N2 Bi1 O1 C25 -161.8(7) . .
N1 Bi1 O1 C25 -24.0(8) . .
O2 C25 O3 Bi2 163.7(8) . .
O1 C25 O3 Bi2 -14.9(13) . .
C13 Bi2 O3 C25 -168.5(8) . .
O4 Bi2 O3 C25 -92.4(9) . .
O5 Bi2 O3 C25 121.3(8) . .
N4 Bi2 O3 C25 116.5(8) . .
N3 Bi2 O3 C25 -95.0(8) . .
O6 C26 O4 Bi2 -173.0(9) 2_645 .
O5 C26 O4 Bi2 6.1(10) . .
C13 Bi2 O4 C26 -91.6(6) . .
O3 Bi2 O4 C26 -165.5(6) . .
O5 Bi2 O4 C26 -3.6(6) . .
N4 Bi2 O4 C26 -21.9(7) . .
N3 Bi2 O4 C26 -162.8(6) . .
O4 C26 O5 Bi2 -6.1(10) . .
O6 C26 O5 Bi2 173.1(9) 2_645 .
C13 Bi2 O5 C26 94.9(6) . .
O3 Bi2 O5 C26 163.6(6) . .
O4 Bi2 O5 C26 3.5(5) . .
N4 Bi2 O5 C26 168.5(6) . .
N3 Bi2 O5 C26 27.7(7) . .
