#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/64/7036453.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_7036453
loop_
_publ_author_name
'Pathak, Amita'
'Blair, Victoria L.'
'Ferrero, Richard L.'
'Junk, Peter C.'
'Tabor, Richard F.'
'Andrews, Philip C.'
_publ_section_title
;
 Synthesis and structural characterisation of bismuth(iii) hydroxamates
 and their activity against Helicobacter pylori.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16903
_journal_page_last               16913
_journal_paper_doi               10.1039/c5dt02259b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C37 H49 Bi2 N4 O16 S4'
_chemical_formula_sum            'C37 H49 Bi2 N4 O16 S4'
_chemical_formula_weight         1352.00
_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
_audit_update_record
;
2015-01-29 deposited with the CCDC.
2015-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                87.484(2)
_cell_angle_beta                 85.407(2)
_cell_angle_gamma                84.557(2)
_cell_formula_units_Z            2
_cell_length_a                   7.7836(4)
_cell_length_b                   12.4644(7)
_cell_length_c                   23.1300(11)
_cell_measurement_reflns_used    9919
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.10
_cell_measurement_theta_min      2.84
_cell_volume                     2225.2(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            46278
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         30.19
_diffrn_reflns_theta_min         1.64
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.159
_exptl_absorpt_correction_T_max  0.2922
_exptl_absorpt_correction_T_min  0.1058
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008-1 (Bruker AXS, 2014)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.018
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1314
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.471
_refine_diff_density_min         -1.628
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         12791
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0331
_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)+(0.0324P)²+2.6151P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0789
_reflns_number_gt                10546
_reflns_number_total             12791
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt02259b2.cif
_cod_data_source_block           vb122_apCompound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036451--7036453.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7036453
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
Bi1 Bi 0.739354(18) 0.531158(11) 0.012601(6) 0.00874(4) Uani 1 1 d . . .
Bi2 Bi 0.758745(18) 0.956328(12) 0.494867(6) 0.00949(4) Uani 1 1 d . . .
S1 S 0.61380(14) 0.85575(9) 0.01902(5) 0.0175(2) Uani 1 1 d . . .
S2 S 0.8927(2) 0.77754(16) 0.35162(8) 0.0096(4) Uani 0.50 1 d P A 1
S3 S 0.77680(16) 0.64889(10) 0.49974(5) 0.0246(3) Uani 1 1 d . A .
S4 S 0.1383(2) 1.34184(16) 0.79273(8) 0.0201(4) Uani 0.60 1 d P B 1
S5 S 0.2509(4) 1.3209(2) 0.81988(13) 0.0192(6) Uani 0.40 1 d P C 2
S6 S 0.9636(3) 0.8570(2) 0.36258(11) 0.0249(5) Uani 0.50 1 d P A 2
O1 O 0.7950(4) 0.5914(2) -0.07774(13) 0.0165(6) Uani 1 1 d . . .
O2 O 0.5852(3) 0.4470(2) -0.04327(12) 0.0118(6) Uani 1 1 d . . .
O3 O 0.6455(4) 0.4079(3) -0.21047(14) 0.0225(7) Uani 1 1 d . . .
H3O H 0.6368 0.3940 -0.1745 0.027 Uiso 1 1 calc R . .
O4 O 0.7249(4) 0.3779(2) 0.07499(13) 0.0153(6) Uani 1 1 d . . .
O5 O 0.9503(3) 0.4024(2) -0.01497(12) 0.0115(6) Uani 1 1 d . . .
O6 O 0.9859(4) 0.0902(2) 0.02037(13) 0.0152(6) Uani 1 1 d . . .
H6O H 1.0218 0.0259 0.0138 0.018 Uiso 1 1 calc R . .
O7 O 0.7292(4) 0.7593(2) 0.03828(13) 0.0164(6) Uani 1 1 d . . .
O8 O 0.7710(4) 0.9455(2) 0.59601(13) 0.0170(7) Uani 1 1 d . . .
O9 O 0.5466(3) 1.0705(2) 0.53764(12) 0.0110(6) Uani 1 1 d . . .
O10 O 0.5037(4) 1.1902(3) 0.69297(14) 0.0221(7) Uani 1 1 d . . .
H10O H 0.5029 1.1782 0.6575 0.027 Uiso 1 1 calc R . .
O11 O 0.7087(4) 1.0777(2) 0.41987(13) 0.0184(7) Uani 1 1 d . . .
O12 O 0.9187(3) 1.0944(2) 0.50004(13) 0.0137(6) Uani 1 1 d . . .
O13 O 0.8401(4) 1.3889(2) 0.44077(14) 0.0210(7) Uani 1 1 d . . .
H13O H 0.8532 1.4551 0.4402 0.025 Uiso 1 1 calc R . .
O14 O 0.7848(4) 0.8244(3) 0.40182(14) 0.0267(8) Uani 1 1 d . . .
O15 O 0.7997(8) 0.7453(5) 0.5291(3) 0.0218(14) Uani 0.50 1 d P . .
O16 O 0.2892(13) 1.2557(7) 0.7798(4) 0.025(2) Uani 0.50 1 d P B 1
O17 O 0.8748(8) 0.5900(5) 0.4563(3) 0.0189(14) Uani 0.50 1 d P . .
O18 O 0.2762(12) 1.2953(8) 0.7580(4) 0.033(2) Uani 0.50 1 d P C 2
N1 N 0.6292(4) 0.4590(3) -0.10324(15) 0.0128(7) Uani 1 1 d . . .
N2 N 0.9359(4) 0.3042(3) 0.01400(15) 0.0115(7) Uani 1 1 d . . .
H2 H 1.0001 0.2465 0.0017 0.014 Uiso 1 1 calc R . .
N3 N 0.5538(4) 1.0795(3) 0.59669(15) 0.0121(7) Uani 1 1 d . . .
N4 N 0.8685(4) 1.1846(3) 0.46576(16) 0.0151(8) Uani 1 1 d . . .
H4N H 0.9042 1.2482 0.4709 0.018 Uiso 1 1 calc R . .
C1 C 0.7329(5) 0.5344(3) -0.11629(18) 0.0133(8) Uani 1 1 d . . .
C2 C 0.7860(5) 0.5550(4) -0.17771(18) 0.0155(9) Uani 1 1 d . . .
C3 C 0.7425(6) 0.4911(4) -0.2218(2) 0.0199(10) Uani 1 1 d . . .
C4 C 0.8027(6) 0.5129(4) -0.2790(2) 0.0256(11) Uani 1 1 d . . .
H4 H 0.7748 0.4692 -0.3090 0.031 Uiso 1 1 calc R . .
C5 C 0.9027(6) 0.5976(5) -0.2924(2) 0.0306(13) Uani 1 1 d . . .
H5 H 0.9407 0.6125 -0.3318 0.037 Uiso 1 1 calc R . .
C6 C 0.9478(6) 0.6603(5) -0.2503(2) 0.0300(12) Uani 1 1 d . . .
H6 H 1.0184 0.7176 -0.2601 0.036 Uiso 1 1 calc R . .
C7 C 0.8891(6) 0.6394(4) -0.1926(2) 0.0238(10) Uani 1 1 d . . .
H7 H 0.9197 0.6831 -0.1631 0.029 Uiso 1 1 calc R . .
C8 C 0.8273(5) 0.2967(3) 0.05962(17) 0.0090(8) Uani 1 1 d . . .
C9 C 0.8207(5) 0.1930(3) 0.09295(18) 0.0120(8) Uani 1 1 d . . .
C10 C 0.7272(6) 0.1954(4) 0.14750(18) 0.0163(9) Uani 1 1 d . . .
H10 H 0.6787 0.2626 0.1621 0.020 Uiso 1 1 calc R . .
C11 C 0.7047(6) 0.1025(4) 0.1799(2) 0.0216(10) Uani 1 1 d . . .
H11 H 0.6429 0.1053 0.2171 0.026 Uiso 1 1 calc R . .
C12 C 0.7728(6) 0.0042(4) 0.15813(19) 0.0203(10) Uani 1 1 d . . .
H12 H 0.7537 -0.0607 0.1798 0.024 Uiso 1 1 calc R . .
C13 C 0.8681(6) 0.0000(3) 0.10525(18) 0.0155(9) Uani 1 1 d . . .
H13 H 0.9160 -0.0678 0.0912 0.019 Uiso 1 1 calc R . .
C14 C 0.8955(5) 0.0945(3) 0.07184(18) 0.0124(8) Uani 1 1 d . . .
C15 C 0.4000(6) 0.8269(4) 0.0441(2) 0.0232(10) Uani 1 1 d . . .
H15A H 0.3789 0.7556 0.0314 0.035 Uiso 1 1 calc R . .
H15B H 0.3162 0.8816 0.0282 0.035 Uiso 1 1 calc R . .
H15C H 0.3875 0.8275 0.0866 0.035 Uiso 1 1 calc R . .
C16 C 0.5959(7) 0.8438(4) -0.0564(2) 0.0281(11) Uani 1 1 d . . .
H16A H 0.7088 0.8510 -0.0774 0.042 Uiso 1 1 calc R . .
H16B H 0.5114 0.9007 -0.0700 0.042 Uiso 1 1 calc R . .
H16C H 0.5577 0.7731 -0.0633 0.042 Uiso 1 1 calc R . .
C17 C 0.6652(5) 1.0128(3) 0.62379(18) 0.0119(8) Uani 1 1 d . . .
C18 C 0.6711(5) 1.0195(4) 0.68740(18) 0.0143(9) Uani 1 1 d . . .
C19 C 0.7639(6) 0.9337(4) 0.7162(2) 0.0216(10) Uani 1 1 d . . .
H19 H 0.8123 0.8732 0.6949 0.026 Uiso 1 1 calc R . .
C20 C 0.7859(7) 0.9356(4) 0.7746(2) 0.0262(11) Uani 1 1 d . . .
H20 H 0.8480 0.8766 0.7934 0.031 Uiso 1 1 calc R . .
C21 C 0.7167(6) 1.0242(4) 0.8056(2) 0.0243(11) Uani 1 1 d . . .
H21 H 0.7341 1.0265 0.8457 0.029 Uiso 1 1 calc R . .
C22 C 0.6233(6) 1.1089(4) 0.77899(19) 0.0209(10) Uani 1 1 d . . .
H22 H 0.5767 1.1693 0.8007 0.025 Uiso 1 1 calc R . .
C23 C 0.5967(5) 1.1063(4) 0.71996(19) 0.0160(9) Uani 1 1 d . . .
C24 C 0.7660(5) 1.1699(3) 0.42584(19) 0.0138(9) Uani 1 1 d . . .
C25 C 0.7112(5) 1.2616(4) 0.38715(19) 0.0157(9) Uani 1 1 d . . .
C26 C 0.6170(6) 1.2434(4) 0.3405(2) 0.0199(10) Uani 1 1 d . . .
H26 H 0.5895 1.1723 0.3346 0.024 Uiso 1 1 calc R . .
C27 C 0.5620(6) 1.3264(4) 0.3023(2) 0.0234(10) Uani 1 1 d . . .
H27 H 0.4976 1.3124 0.2707 0.028 Uiso 1 1 calc R . .
C28 C 0.6024(6) 1.4300(4) 0.3111(2) 0.0223(10) Uani 1 1 d . . .
H28 H 0.5662 1.4875 0.2852 0.027 Uiso 1 1 calc R . .
C29 C 0.6947(6) 1.4502(4) 0.3571(2) 0.0202(10) Uani 1 1 d . . .
H29 H 0.7212 1.5216 0.3627 0.024 Uiso 1 1 calc R . .
C30 C 0.7495(5) 1.3675(4) 0.3953(2) 0.0162(9) Uani 1 1 d . . .
C33 C 0.5660(7) 0.6545(4) 0.4750(2) 0.0354(13) Uani 1 1 d . . .
H33A H 0.5632 0.6957 0.4380 0.053 Uiso 1 1 calc R A .
H33B H 0.4823 0.6896 0.5037 0.053 Uiso 1 1 calc R . .
H33C H 0.5361 0.5811 0.4696 0.053 Uiso 1 1 calc R . .
C34 C 0.7427(7) 0.5596(5) 0.5614(2) 0.0377(14) Uani 1 1 d . . .
H34A H 0.7109 0.4907 0.5486 0.057 Uiso 1 1 calc R A .
H34B H 0.6493 0.5919 0.5879 0.057 Uiso 1 1 calc R . .
H34C H 0.8493 0.5473 0.5816 0.057 Uiso 1 1 calc R . .
C35 C 0.2176(8) 1.4434(6) 0.8324(3) 0.103(2) Uani 1 1 d U B 1
H35A H 0.2932 1.4857 0.8064 0.155 Uiso 1 1 calc R B 1
H35B H 0.2833 1.4094 0.8638 0.155 Uiso 1 1 calc R B 1
H35C H 0.1201 1.4909 0.8488 0.155 Uiso 1 1 calc R B 1
C36 C 0.0174(7) 1.2827(4) 0.8459(2) 0.0736(16) Uani 1 1 d . B 1
H36A H -0.0370 1.2236 0.8302 0.110 Uiso 1 1 calc R B 1
H36B H -0.0724 1.3358 0.8621 0.110 Uiso 1 1 calc R B 1
H36C H 0.0910 1.2541 0.8765 0.110 Uiso 1 1 calc R B 1
C37 C 1.1023(9) 0.7545(7) 0.3781(4) 0.0251(18) Uani 0.60 1 d P A 1
H37A H 1.1278 0.8181 0.3981 0.038 Uiso 0.60 1 calc PR A 1
H37B H 1.1889 0.7407 0.3455 0.038 Uiso 0.60 1 calc PR A 1
H37C H 1.1054 0.6918 0.4053 0.038 Uiso 0.60 1 calc PR A 1
C38 C 1.0401(17) 0.7284(10) 0.3358(5) 0.024(3) Uani 0.40 1 d P A 2
H38A H 0.9451 0.6962 0.3197 0.036 Uiso 0.40 1 calc PR A 2
H38B H 1.0838 0.6817 0.3676 0.036 Uiso 0.40 1 calc PR A 2
H38C H 1.1335 0.7365 0.3054 0.036 Uiso 0.40 1 calc PR A 2
C39 C 0.9037(9) 0.9059(5) 0.3035(3) 0.0475(18) Uani 0.50 1 d P A 1
H39A H 0.7956 0.9210 0.2844 0.071 Uiso 0.50 1 calc PR A 1
H39B H 1.0009 0.8959 0.2740 0.071 Uiso 0.50 1 calc PR A 1
H39C H 0.9204 0.9666 0.3274 0.071 Uiso 0.50 1 calc PR A 1
C40 C 0.9037(9) 0.9059(5) 0.3035(3) 0.0475(18) Uani 0.50 1 d P A 2
H40A H 0.9968 0.9440 0.2832 0.071 Uiso 0.50 1 calc PR A 2
H40B H 0.8007 0.9566 0.3105 0.071 Uiso 0.50 1 calc PR A 2
H40C H 0.8761 0.8479 0.2795 0.071 Uiso 0.50 1 calc PR A 2
C41 C 0.2176(8) 1.4434(6) 0.8324(3) 0.103(2) Uani 0.50 1 d PU C 2
H41A H 0.3234 1.4787 0.8217 0.155 Uiso 0.50 1 calc PR C 2
H41B H 0.1843 1.4521 0.8738 0.155 Uiso 0.50 1 calc PR C 2
H41C H 0.1243 1.4762 0.8096 0.155 Uiso 0.50 1 calc PR C 2
C42 C 0.0174(7) 1.2827(4) 0.8459(2) 0.0736(16) Uani 0.50 1 d P C 2
H42A H 0.0111 1.2054 0.8413 0.110 Uiso 0.50 1 calc PR C 2
H42B H -0.0673 1.3241 0.8226 0.110 Uiso 0.50 1 calc PR C 2
H42C H -0.0080 1.2996 0.8869 0.110 Uiso 0.50 1 calc PR C 2
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'
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
O2 Bi1 O1 72.34(10) . .
O2 Bi1 O5 83.42(10) . .
O1 Bi1 O5 81.73(11) . .
O2 Bi1 O4 85.33(11) . .
O1 Bi1 O4 145.69(11) . .
O5 Bi1 O4 69.86(10) . .
O2 Bi1 O2 67.03(11) . 2_665
O1 Bi1 O2 111.69(10) . 2_665
O5 Bi1 O2 140.26(9) . 2_665
O4 Bi1 O2 81.38(10) . 2_665
O2 Bi1 O5 140.81(9) . 2_765
O1 Bi1 O5 77.28(10) . 2_765
O5 Bi1 O5 68.05(11) . 2_765
O4 Bi1 O5 107.85(10) . 2_765
O2 Bi1 O5 149.71(9) 2_665 2_765
O12 Bi2 O9 83.47(10) . .
O12 Bi2 O11 70.18(10) . .
O9 Bi2 O11 79.48(11) . .
O12 Bi2 O8 83.68(11) . .
O9 Bi2 O8 69.79(10) . .
O11 Bi2 O8 141.61(11) . .
O12 Bi2 O12 64.65(11) . 2_776
O9 Bi2 O12 138.66(9) . 2_776
O11 Bi2 O12 110.71(10) . 2_776
O8 Bi2 O12 80.66(10) . 2_776
O12 Bi2 O9 136.39(10) . 2_676
O9 Bi2 O9 67.23(11) . 2_676
O11 Bi2 O9 73.15(10) . 2_676
O8 Bi2 O9 113.06(10) . 2_676
O12 Bi2 O9 153.74(9) 2_776 2_676
O12 Bi2 O15 133.57(15) . .
O9 Bi2 O15 121.08(16) . .
O11 Bi2 O15 146.32(16) . .
O8 Bi2 O15 71.67(16) . .
O12 Bi2 O15 72.78(14) 2_776 .
O9 Bi2 O15 89.89(15) 2_676 .
O12 Bi2 O14 123.46(11) . .
O9 Bi2 O14 135.20(10) . .
O11 Bi2 O14 78.26(10) . .
O8 Bi2 O14 140.09(10) . .
O12 Bi2 O14 85.79(9) 2_776 .
O9 Bi2 O14 69.29(9) 2_676 .
O15 Bi2 O14 68.47(16) . .
O7 S1 C16 106.6(2) . .
O7 S1 C15 105.1(2) . .
C16 S1 C15 98.2(2) . .
O14 S2 C37 103.1(3) . .
O14 S2 C39 98.4(2) . .
C37 S2 C39 104.3(3) . .
O17 S3 O15 134.0(4) . .
O17 S3 C33 101.5(3) . .
O15 S3 C33 110.9(3) . .
O17 S3 C34 107.9(3) . .
O15 S3 C34 99.3(3) . .
C33 S3 C34 97.8(3) . .
O16 S4 C36 103.0(4) . .
O16 S4 C35 107.5(5) . .
C36 S4 C35 99.9(3) . .
O14 S6 C38 99.5(4) . .
C1 O1 Bi1 113.2(3) . .
N1 O2 Bi1 115.4(2) . .
N1 O2 Bi1 115.4(2) . 2_665
Bi1 O2 Bi1 112.97(11) . 2_665
C8 O4 Bi1 114.9(2) . .
N2 O5 Bi1 113.9(2) . .
N2 O5 Bi1 112.4(2) . 2_765
Bi1 O5 Bi1 111.95(11) . 2_765
C17 O8 Bi2 115.0(3) . .
N3 O9 Bi2 115.0(2) . .
N3 O9 Bi2 114.8(2) . 2_676
Bi2 O9 Bi2 112.77(11) . 2_676
C24 O11 Bi2 114.1(3) . .
N4 O12 Bi2 114.5(2) . .
N4 O12 Bi2 117.5(2) . 2_776
Bi2 O12 Bi2 115.35(11) . 2_776
S2 O14 S6 45.14(14) . .
S2 O14 Bi2 148.1(2) . .
S6 O14 Bi2 104.25(18) . .
S3 O15 Bi2 131.5(4) . .
C1 N1 O2 113.1(3) . .
C8 N2 O5 120.0(3) . .
C17 N3 O9 118.4(3) . .
C24 N4 O12 116.3(3) . .
N1 C1 O1 124.0(4) . .
N1 C1 C2 117.9(4) . .
O1 C1 C2 118.1(4) . .
C7 C2 C3 118.8(4) . .
C7 C2 C1 118.5(4) . .
C3 C2 C1 122.6(4) . .
O3 C3 C4 118.5(4) . .
O3 C3 C2 121.9(4) . .
C4 C3 C2 119.6(5) . .
C5 C4 C3 120.3(5) . .
C6 C5 C4 121.2(5) . .
C5 C6 C7 119.3(5) . .
C2 C7 C6 120.8(5) . .
O4 C8 N2 120.2(4) . .
O4 C8 C9 119.9(4) . .
N2 C8 C9 119.9(4) . .
C14 C9 C10 119.6(4) . .
C14 C9 C8 123.5(4) . .
C10 C9 C8 116.9(4) . .
C11 C10 C9 121.1(4) . .
C10 C11 C12 119.4(4) . .
C13 C12 C11 120.5(4) . .
C12 C13 C14 120.9(4) . .
O6 C14 C9 120.8(4) . .
O6 C14 C13 120.8(4) . .
C9 C14 C13 118.4(4) . .
O8 C17 N3 121.2(4) . .
O8 C17 C18 119.7(4) . .
N3 C17 C18 119.1(4) . .
C23 C18 C19 118.3(4) . .
C23 C18 C17 124.6(4) . .
C19 C18 C17 117.0(4) . .
C20 C19 C18 121.4(5) . .
C19 C20 C21 119.4(5) . .
C22 C21 C20 120.8(5) . .
C21 C22 C23 120.1(5) . .
O10 C23 C18 119.3(4) . .
O10 C23 C22 120.6(4) . .
C18 C23 C22 120.0(4) . .
O11 C24 N4 121.7(4) . .
O11 C24 C25 119.3(4) . .
N4 C24 C25 119.1(4) . .
C26 C25 C30 118.2(4) . .
C26 C25 C24 119.0(4) . .
C30 C25 C24 122.8(4) . .
C25 C26 C27 121.8(5) . .
C28 C27 C26 118.9(4) . .
C29 C28 C27 120.3(5) . .
C28 C29 C30 120.8(5) . .
O13 C30 C29 120.1(4) . .
O13 C30 C25 120.0(4) . .
C29 C30 C25 119.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 O2 2.195(3) .
Bi1 O1 2.213(3) .
Bi1 O5 2.258(3) .
Bi1 O4 2.349(3) .
Bi1 O2 2.561(3) 2_665
Bi1 O5 2.632(3) 2_765
Bi2 O12 2.231(3) .
Bi2 O9 2.268(3) .
Bi2 O11 2.284(3) .
Bi2 O8 2.346(3) .
Bi2 O12 2.541(3) 2_776
Bi2 O9 2.605(3) 2_676
Bi2 O15 2.710(6) .
Bi2 O14 2.748(3) .
S1 O7 1.505(3) .
S1 C16 1.774(5) .
S1 C15 1.782(5) .
S2 O14 1.485(4) .
S2 C37 1.782(8) .
S2 C39 1.914(7) .
S3 O17 1.402(6) .
S3 O15 1.439(6) .
S3 C33 1.775(5) .
S3 C34 1.789(5) .
S4 O16 1.535(9) .
S4 C36 1.676(6) .
S4 C35 1.779(6) .
S5 O18 1.475(9) .
S6 O14 1.673(4) .
S6 C38 1.775(12) .
O1 C1 1.313(5) .
O2 N1 1.407(4) .
O2 Bi1 2.561(3) 2_665
O3 C3 1.345(6) .
O4 C8 1.272(5) .
O5 N2 1.380(4) .
O5 Bi1 2.632(3) 2_765
O6 C14 1.334(5) .
O8 C17 1.275(5) .
O9 N3 1.382(4) .
O9 Bi2 2.605(3) 2_676
O10 C23 1.371(5) .
O11 C24 1.288(5) .
O12 N4 1.390(4) .
O12 Bi2 2.541(3) 2_776
O13 C30 1.361(5) .
N1 C1 1.306(5) .
N2 C8 1.304(5) .
N3 C17 1.319(5) .
N4 C24 1.297(5) .
C1 C2 1.466(6) .
C2 C7 1.398(6) .
C2 C3 1.402(6) .
C3 C4 1.392(6) .
C4 C5 1.381(7) .
C5 C6 1.362(7) .
C6 C7 1.398(7) .
C8 C9 1.479(5) .
C9 C14 1.398(6) .
C9 C10 1.405(6) .
C10 C11 1.370(6) .
C11 C12 1.387(6) .
C12 C13 1.379(6) .
C13 C14 1.404(6) .
C17 C18 1.482(6) .
C18 C23 1.399(6) .
C18 C19 1.406(6) .
C19 C20 1.376(6) .
C20 C21 1.386(7) .
C21 C22 1.375(7) .
C22 C23 1.400(6) .
C24 C25 1.472(6) .
C25 C26 1.390(6) .
C25 C30 1.404(6) .
C26 C27 1.390(6) .
C27 C28 1.385(7) .
C28 C29 1.375(7) .
C29 C30 1.387(6) .
