#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:01:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179737 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/33/7003335.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_7003335
loop_
_publ_author_name
'Andrews, Philip C.'
'Junk, Peter C.'
'Nuzhnaya, Iryna'
'Spiccia, Leone'
_publ_section_title
;
 Fluorinated bismuth alkoxides: from monomers to polymers and
 oxo-clusters
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              2557
_journal_page_last               2568
_journal_paper_doi               10.1039/b715623e
_journal_year                    2008
_chemical_formula_sum            'C36 H42 Bi2 F36 N6 O6'
_chemical_formula_weight         1756.72
_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                 111.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.123(3)
_cell_length_b                   17.976(4)
_cell_length_c                   19.379(4)
_cell_measurement_temperature    123(2)
_cell_volume                     5548(2)
_computing_cell_refinement       'Bruker APEX II v. 1.0 (Bruker AXS 2004)'
_computing_data_collection       'Bruker APEX II v. 1.0 (Bruker AXS 2004)'
_computing_data_reduction        'Bruker APEX II v. 1.0 (Bruker AXS 2004)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker X8 APEX CCD'
_diffrn_measurement_method       '0.5 deg frames in phi and omega'
_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  0.1890
_diffrn_reflns_av_sigmaI/netI    0.1794
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            54132
_diffrn_reflns_theta_full        29.54
_diffrn_reflns_theta_max         29.54
_diffrn_reflns_theta_min         1.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.504
_exptl_absorpt_correction_T_max  0.6588
_exptl_absorpt_correction_T_min  0.6242
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.103
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3352
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.289
_refine_diff_density_min         -3.771
_refine_diff_density_rms         0.277
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         15296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.965
_refine_ls_R_factor_all          0.1537
_refine_ls_R_factor_gt           0.0680
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0549P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1557
_reflns_number_gt                8134
_reflns_number_total             15296
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b715623e.txt
_cod_data_source_block           bida2
_cod_original_cell_volume        5547.7(19)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7003335
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi2 Bi 0.34668(2) 0.81038(2) 0.152315(18) 0.01588(10) Uani 1 1 d . . .
Bi1 Bi 0.15760(2) 1.14839(2) -0.145055(18) 0.01621(10) Uani 1 1 d . . .
O6 O 0.4183(4) 0.9043(4) 0.2090(3) 0.0260(16) Uani 1 1 d . . .
O2 O 0.0629(3) 1.1218(4) -0.1054(3) 0.0212(15) Uani 1 1 d . . .
N1 N 0.1916(5) 1.2619(4) -0.0575(4) 0.0194(18) Uani 1 1 d . . .
O3 O 0.0801(4) 1.2344(4) -0.2111(3) 0.0268(17) Uani 1 1 d . . .
O4 O 0.4286(4) 0.7532(4) 0.2525(3) 0.0230(16) Uani 1 1 d . . .
O1 O 0.0904(4) 1.0843(4) -0.2460(3) 0.0251(16) Uani 1 1 d . . .
C14 C 0.5226(5) 0.7861(6) 0.1494(6) 0.023(2) Uani 1 1 d . . .
H14 H 0.5311 0.7976 0.2022 0.028 Uiso 1 1 calc R . .
N6 N 0.2733(5) 0.6895(4) 0.0547(4) 0.024(2) Uani 1 1 d . . .
N5 N 0.1988(6) 0.5759(5) -0.0220(5) 0.031(2) Uani 1 1 d . . .
N2 N 0.2477(6) 1.3756(5) 0.0286(5) 0.035(2) Uani 1 1 d . . .
F30 F 0.5536(3) 0.9105(3) 0.1349(3) 0.0344(15) Uani 1 1 d . . .
F10 F -0.0558(4) 1.2393(4) -0.1389(4) 0.0436(18) Uani 1 1 d . . .
F9 F 0.0019(3) 0.9871(3) -0.1667(3) 0.0378(16) Uani 1 1 d . . .
F33 F 0.5898(4) 0.9114(4) 0.3000(4) 0.0492(19) Uani 1 1 d . . .
F25 F 0.5036(4) 0.6570(3) 0.1619(4) 0.048(2) Uani 1 1 d . . .
F29 F 0.5556(5) 0.8357(4) 0.0506(4) 0.066(2) Uani 1 1 d . . .
F12 F -0.0635(4) 1.1618(4) -0.0574(4) 0.056(2) Uani 1 1 d . . .
F36 F 0.3085(4) 0.9193(4) 0.2781(4) 0.058(2) Uani 1 1 d . . .
F32 F 0.5281(4) 1.0159(3) 0.2706(4) 0.0455(18) Uani 1 1 d . . .
F28 F 0.6548(4) 0.8327(4) 0.1575(4) 0.053(2) Uani 1 1 d . . .
F7 F -0.0452(4) 1.0152(4) -0.0821(4) 0.0475(18) Uani 1 1 d . . .
F6 F -0.0353(4) 0.9952(4) -0.3346(4) 0.052(2) Uani 1 1 d . . .
F31 F 0.5590(4) 0.9733(4) 0.3816(4) 0.058(2) Uani 1 1 d . . .
F4 F 0.0355(4) 1.0421(4) -0.3956(3) 0.0522(19) Uani 1 1 d . . .
F8 F -0.1264(3) 1.0222(4) -0.1972(4) 0.050(2) Uani 1 1 d . . .
F5 F 0.0493(4) 0.9271(4) -0.3645(3) 0.054(2) Uani 1 1 d . . .
C13 C 0.5508(7) 0.7056(7) 0.1445(7) 0.037(3) Uani 1 1 d . . .
N3 N 0.2990(5) 0.9200(4) 0.0562(4) 0.0203(18) Uani 1 1 d . . .
C4 C -0.0482(6) 1.0356(6) -0.1512(6) 0.026(2) Uani 1 1 d . . .
F3 F 0.2151(4) 0.9465(4) -0.2893(4) 0.0503(19) Uani 1 1 d . . .
C2 C 0.1090(6) 1.0157(6) -0.2673(5) 0.023(2) Uani 1 1 d . . .
H2 H 0.1086 0.9785 -0.2291 0.027 Uiso 1 1 calc R . .
F27 F 0.5466(5) 0.6884(4) 0.0752(5) 0.066(2) Uani 1 1 d . . .
F2 F 0.2023(4) 1.0611(4) -0.3215(4) 0.0471(18) Uani 1 1 d . . .
F34 F 0.3679(4) 1.0246(4) 0.2770(5) 0.061(2) Uani 1 1 d . . .
F26 F 0.6292(4) 0.6936(4) 0.1886(4) 0.060(2) Uani 1 1 d . . .
C16 C 0.5301(7) 0.9538(7) 0.3071(6) 0.036(3) Uani 1 1 d . . .
C27 C 0.3658(6) 0.9611(6) 0.0416(6) 0.034(3) Uani 1 1 d . . .
H27A H 0.3954 0.9275 0.0188 0.040 Uiso 1 1 calc R . .
H27B H 0.4072 0.9804 0.0887 0.040 Uiso 1 1 calc R . .
F35 F 0.4019(5) 0.9630(5) 0.3782(4) 0.081(3) Uani 1 1 d . . .
C15 C 0.5717(6) 0.8412(7) 0.1226(6) 0.032(3) Uani 1 1 d . . .
C3 C 0.0387(7) 0.9955(6) -0.3406(5) 0.030(3) Uani 1 1 d . . .
C17 C 0.4483(6) 0.9144(6) 0.2861(5) 0.028(3) Uani 1 1 d . . .
H17 H 0.4579 0.8645 0.3106 0.034 Uiso 1 1 calc R . .
C5 C -0.0210(6) 1.1149(6) -0.1521(5) 0.026(2) Uani 1 1 d . . .
H5 H -0.0258 1.1276 -0.2038 0.031 Uiso 1 1 calc R . .
C25 C 0.2393(7) 0.8911(6) -0.0150(5) 0.035(3) Uani 1 1 d . . .
H25A H 0.1936 0.8640 -0.0062 0.042 Uiso 1 1 calc R . .
H25B H 0.2687 0.8557 -0.0362 0.042 Uiso 1 1 calc R . .
C29 C 0.2533(7) 0.9719(6) 0.0872(6) 0.035(3) Uani 1 1 d . . .
H29A H 0.2930 0.9945 0.1334 0.042 Uiso 1 1 calc R . .
H29B H 0.2101 0.9444 0.0995 0.042 Uiso 1 1 calc R . .
C33 C 0.2562(8) 0.5546(7) 0.0507(6) 0.059(4) Uani 1 1 d . . .
H33A H 0.2977 0.5189 0.0456 0.071 Uiso 1 1 calc R . .
H33B H 0.2246 0.5293 0.0777 0.071 Uiso 1 1 calc R . .
C6 C -0.0733(7) 1.1681(7) -0.1290(7) 0.037(3) Uani 1 1 d . . .
C1 C 0.1939(7) 1.0135(6) -0.2737(6) 0.030(3) Uani 1 1 d . . .
C34 C 0.3028(7) 0.6227(6) 0.0963(6) 0.043(3) Uani 1 1 d . . .
H34A H 0.2931 0.6253 0.1435 0.051 Uiso 1 1 calc R . .
H34B H 0.3639 0.6174 0.1082 0.051 Uiso 1 1 calc R . .
C36 C 0.2864(8) 0.6878(7) -0.0147(7) 0.049(4) Uani 1 1 d . . .
H36A H 0.3473 0.6886 -0.0052 0.059 Uiso 1 1 calc R . .
H36B H 0.2605 0.7321 -0.0447 0.059 Uiso 1 1 calc R . .
C32 C 0.1815(7) 0.6935(6) 0.0371(7) 0.038(3) Uani 1 1 d . . .
H32A H 0.1591 0.7411 0.0118 0.046 Uiso 1 1 calc R . .
H32B H 0.1698 0.6914 0.0835 0.046 Uiso 1 1 calc R . .
C35 C 0.2458(8) 0.6150(7) -0.0586(7) 0.053(4) Uani 1 1 d . . .
H35A H 0.2082 0.6283 -0.1095 0.064 Uiso 1 1 calc R . .
H35B H 0.2906 0.5822 -0.0622 0.064 Uiso 1 1 calc R . .
C31 C 0.1385(7) 0.6273(7) -0.0138(7) 0.047(3) Uani 1 1 d . . .
H31A H 0.1018 0.6009 0.0074 0.057 Uiso 1 1 calc R . .
H31B H 0.1028 0.6464 -0.0632 0.057 Uiso 1 1 calc R . .
C18 C 0.3834(8) 0.9552(8) 0.3063(7) 0.047(3) Uani 1 1 d . . .
F1 F 0.2526(3) 1.0323(3) -0.2059(3) 0.0361(15) Uani 1 1 d . . .
F16 F -0.0267(4) 1.3448(3) -0.2739(4) 0.0437(17) Uani 1 1 d . . .
F18 F -0.0906(4) 1.2404(4) -0.3036(4) 0.0517(19) Uani 1 1 d . . .
F14 F 0.1916(4) 1.2429(4) -0.2807(4) 0.056(2) Uani 1 1 d . . .
N4 N 0.2331(5) 1.0263(5) -0.0363(5) 0.026(2) Uani 1 1 d . . .
F13 F 0.1307(5) 1.3488(4) -0.2887(5) 0.064(2) Uani 1 1 d . . .
C11 C 0.4174(6) 0.6895(6) 0.2878(5) 0.024(2) Uani 1 1 d . . .
H11 H 0.4046 0.6469 0.2522 0.029 Uiso 1 1 calc R . .
F15 F 0.0993(5) 1.2775(5) -0.3845(4) 0.082(3) Uani 1 1 d . . .
C8 C 0.0525(7) 1.2411(6) -0.2874(5) 0.030(3) Uani 1 1 d . . .
H8 H 0.0416 1.1902 -0.3096 0.035 Uiso 1 1 calc R . .
C28 C 0.3253(6) 1.0275(6) -0.0124(6) 0.030(3) Uani 1 1 d . . .
H28A H 0.3470 1.0751 0.0130 0.036 Uiso 1 1 calc R . .
H28B H 0.3414 1.0241 -0.0565 0.036 Uiso 1 1 calc R . .
C30 C 0.2110(7) 1.0342(6) 0.0300(6) 0.043(3) Uani 1 1 d . . .
H30A H 0.1493 1.0312 0.0154 0.052 Uiso 1 1 calc R . .
H30B H 0.2296 1.0834 0.0529 0.052 Uiso 1 1 calc R . .
C23 C 0.1229(6) 1.3059(6) -0.0509(6) 0.034(3) Uani 1 1 d . . .
H23A H 0.0883 1.2739 -0.0318 0.041 Uiso 1 1 calc R . .
H23B H 0.0867 1.3241 -0.1006 0.041 Uiso 1 1 calc R . .
C10 C 0.3430(8) 0.7006(7) 0.3142(6) 0.042(3) Uani 1 1 d . . .
C24 C 0.1561(7) 1.3731(7) 0.0018(7) 0.046(3) Uani 1 1 d . . .
H24A H 0.1327 1.4198 -0.0249 0.056 Uiso 1 1 calc R . .
H24B H 0.1377 1.3688 0.0445 0.056 Uiso 1 1 calc R . .
C21 C 0.2429(8) 1.3108(6) -0.0846(7) 0.052(4) Uani 1 1 d . . .
H21A H 0.2090 1.3281 -0.1353 0.062 Uiso 1 1 calc R . .
H21B H 0.2915 1.2826 -0.0870 0.062 Uiso 1 1 calc R . .
C26 C 0.2023(7) 0.9538(6) -0.0697(6) 0.042(3) Uani 1 1 d . . .
H26A H 0.2174 0.9466 -0.1139 0.051 Uiso 1 1 calc R . .
H26B H 0.1403 0.9526 -0.0861 0.051 Uiso 1 1 calc R . .
C20 C 0.2797(8) 1.3065(6) 0.0688(7) 0.054(4) Uani 1 1 d . . .
H20A H 0.2631 1.3034 0.1125 0.065 Uiso 1 1 calc R . .
H20B H 0.3418 1.3062 0.0867 0.065 Uiso 1 1 calc R . .
C9 C -0.0309(7) 1.2830(7) -0.3109(6) 0.041(3) Uani 1 1 d . . .
C22 C 0.2738(9) 1.3774(7) -0.0335(8) 0.061(4) Uani 1 1 d . . .
H22A H 0.3359 1.3789 -0.0152 0.073 Uiso 1 1 calc R . .
H22B H 0.2524 1.4235 -0.0621 0.073 Uiso 1 1 calc R . .
C12 C 0.5003(8) 0.6734(8) 0.3538(7) 0.051(4) Uani 1 1 d . . .
C7 C 0.1173(8) 1.2781(7) -0.3108(6) 0.043(3) Uani 1 1 d . . .
C19 C 0.2448(8) 1.2388(7) 0.0182(6) 0.052(4) Uani 1 1 d . . .
H19A H 0.2921 1.2083 0.0161 0.062 Uiso 1 1 calc R . .
H19B H 0.2115 1.2076 0.0393 0.062 Uiso 1 1 calc R . .
F19 F 0.2740(4) 0.7136(4) 0.2558(4) 0.0464(18) Uani 1 1 d . . .
F11 F -0.1563(4) 1.1598(4) -0.1672(4) 0.0472(19) Uani 1 1 d . . .
F17 F -0.0575(5) 1.3002(4) -0.3845(4) 0.061(2) Uani 1 1 d . . .
F22 F 0.5232(5) 0.7288(4) 0.4020(4) 0.069(2) Uani 1 1 d . . .
F21 F 0.3300(5) 0.6415(4) 0.3485(4) 0.067(2) Uani 1 1 d . . .
F24 F 0.5625(4) 0.6619(5) 0.3277(4) 0.068(2) Uani 1 1 d . . .
F23 F 0.4940(5) 0.6130(4) 0.3895(4) 0.071(2) Uani 1 1 d . . .
F20 F 0.3561(5) 0.7576(5) 0.3608(4) 0.071(3) Uani 1 1 d . . .
O5 O 0.4361(4) 0.7921(4) 0.1054(3) 0.0220(15) 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'
F F 0.0171 0.0103 '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
O5 Bi2 O6 88.5(2) . . ?
O5 Bi2 O4 88.8(2) . . ?
O6 Bi2 O4 81.7(2) . . ?
O5 Bi2 N3 84.0(2) . . ?
O6 Bi2 N3 75.1(2) . . ?
O4 Bi2 N3 155.8(2) . . ?
O5 Bi2 N6 78.8(2) . . ?
O6 Bi2 N6 166.5(2) . . ?
O4 Bi2 N6 102.3(2) . . ?
N3 Bi2 N6 98.9(2) . . ?
O2 Bi1 O3 89.5(2) . . ?
O2 Bi1 O1 89.1(2) . . ?
O3 Bi1 O1 80.7(2) . . ?
O2 Bi1 N1 87.5(3) . . ?
O3 Bi1 N1 76.2(2) . . ?
O1 Bi1 N1 156.7(2) . . ?
O2 Bi1 N4 76.5(2) . . ?
O3 Bi1 N4 165.8(2) . . ?
O1 Bi1 N4 101.1(2) . . ?
N1 Bi1 N4 100.5(2) . . ?
C17 O6 Bi2 124.5(6) . . ?
C5 O2 Bi1 122.4(6) . . ?
C23 N1 C21 108.3(9) . . ?
C23 N1 C19 106.9(8) . . ?
C21 N1 C19 107.0(9) . . ?
C23 N1 Bi1 119.4(6) . . ?
C21 N1 Bi1 104.9(6) . . ?
C19 N1 Bi1 109.8(6) . . ?
C8 O3 Bi1 126.8(6) . . ?
C11 O4 Bi2 131.9(6) . . ?
C2 O1 Bi1 129.4(6) . . ?
O5 C14 C15 109.6(8) . . ?
O5 C14 C13 108.5(8) . . ?
C15 C14 C13 111.7(8) . . ?
C34 N6 C36 111.3(9) . . ?
C34 N6 C32 107.2(8) . . ?
C36 N6 C32 107.5(9) . . ?
C34 N6 Bi2 106.7(6) . . ?
C36 N6 Bi2 117.0(6) . . ?
C32 N6 Bi2 106.7(6) . . ?
C35 N5 C31 107.2(9) . . ?
C35 N5 C33 108.0(10) . . ?
C31 N5 C33 108.7(10) . . ?
C22 N2 C24 109.2(10) . . ?
C22 N2 C20 107.3(10) . . ?
C24 N2 C20 107.9(10) . . ?
F25 C13 F26 107.5(9) . . ?
F25 C13 F27 106.8(10) . . ?
F26 C13 F27 106.0(9) . . ?
F25 C13 C14 112.0(9) . . ?
F26 C13 C14 112.5(10) . . ?
F27 C13 C14 111.8(9) . . ?
C27 N3 C25 108.4(8) . . ?
C27 N3 C29 109.0(8) . . ?
C25 N3 C29 108.3(8) . . ?
C27 N3 Bi2 116.8(6) . . ?
C25 N3 Bi2 109.0(6) . . ?
C29 N3 Bi2 105.0(5) . . ?
F8 C4 F9 107.7(9) . . ?
F8 C4 F7 105.9(8) . . ?
F9 C4 F7 104.5(8) . . ?
F8 C4 C5 113.8(9) . . ?
F9 C4 C5 112.9(8) . . ?
F7 C4 C5 111.4(9) . . ?
O1 C2 C1 112.6(8) . . ?
O1 C2 C3 107.6(8) . . ?
C1 C2 C3 111.8(8) . . ?
F32 C16 F33 107.7(9) . . ?
F32 C16 F31 106.0(9) . . ?
F33 C16 F31 105.0(9) . . ?
F32 C16 C17 114.9(9) . . ?
F33 C16 C17 112.5(10) . . ?
F31 C16 C17 110.1(9) . . ?
N3 C27 C28 109.0(8) . . ?
F29 C15 F30 106.8(10) . . ?
F29 C15 F28 107.1(8) . . ?
F30 C15 F28 107.0(9) . . ?
F29 C15 C14 112.7(9) . . ?
F30 C15 C14 111.0(8) . . ?
F28 C15 C14 111.9(10) . . ?
F6 C3 F4 108.3(9) . . ?
F6 C3 F5 106.3(9) . . ?
F4 C3 F5 105.6(8) . . ?
F6 C3 C2 111.9(8) . . ?
F4 C3 C2 112.2(9) . . ?
F5 C3 C2 112.1(9) . . ?
O6 C17 C16 107.0(8) . . ?
O6 C17 C18 109.0(9) . . ?
C16 C17 C18 114.1(10) . . ?
O2 C5 C6 109.8(9) . . ?
O2 C5 C4 109.1(8) . . ?
C6 C5 C4 112.5(9) . . ?
N3 C25 C26 111.1(9) . . ?
N3 C29 C30 110.0(8) . . ?
N5 C33 C34 111.7(10) . . ?
F12 C6 F10 106.2(10) . . ?
F12 C6 F11 105.4(8) . . ?
F10 C6 F11 105.8(9) . . ?
F12 C6 C5 113.4(10) . . ?
F10 C6 C5 112.3(9) . . ?
F11 C6 C5 113.2(10) . . ?
F2 C1 F3 108.8(9) . . ?
F2 C1 F1 106.6(9) . . ?
F3 C1 F1 106.1(8) . . ?
F2 C1 C2 113.7(9) . . ?
F3 C1 C2 113.3(9) . . ?
F1 C1 C2 107.8(8) . . ?
N6 C34 C33 110.0(9) . . ?
N6 C36 C35 109.4(9) . . ?
N6 C32 C31 108.9(9) . . ?
N5 C35 C36 110.9(9) . . ?
N5 C31 C32 111.9(9) . . ?
F35 C18 F34 106.1(11) . . ?
F35 C18 F36 107.5(9) . . ?
F34 C18 F36 104.9(11) . . ?
F35 C18 C17 114.6(11) . . ?
F34 C18 C17 113.0(10) . . ?
F36 C18 C17 110.1(10) . . ?
C26 N4 C28 108.9(8) . . ?
C26 N4 C30 107.7(9) . . ?
C28 N4 C30 108.3(8) . . ?
C26 N4 Bi1 110.5(6) . . ?
C28 N4 Bi1 110.3(5) . . ?
C30 N4 Bi1 111.1(6) . . ?
O4 C11 C10 109.7(9) . . ?
O4 C11 C12 108.1(8) . . ?
C10 C11 C12 111.5(9) . . ?
O3 C8 C7 111.2(9) . . ?
O3 C8 C9 106.1(8) . . ?
C7 C8 C9 113.9(10) . . ?
N4 C28 C27 111.0(8) . . ?
N4 C30 C29 110.5(8) . . ?
N1 C23 C24 111.5(8) . . ?
F21 C10 F19 108.1(10) . . ?
F21 C10 F20 107.3(9) . . ?
F19 C10 F20 108.6(11) . . ?
F21 C10 C11 112.1(10) . . ?
F19 C10 C11 109.0(9) . . ?
F20 C10 C11 111.7(10) . . ?
N2 C24 C23 110.1(8) . . ?
N1 C21 C22 110.4(9) . . ?
N4 C26 C25 111.2(9) . . ?
N2 C20 C19 110.5(10) . . ?
F16 C9 F18 108.8(10) . . ?
F16 C9 F17 108.1(10) . . ?
F18 C9 F17 105.5(9) . . ?
F16 C9 C8 113.4(9) . . ?
F18 C9 C8 110.9(10) . . ?
F17 C9 C8 109.9(10) . . ?
N2 C22 C21 112.9(10) . . ?
F23 C12 F22 108.1(10) . . ?
F23 C12 F24 107.4(12) . . ?
F22 C12 F24 108.1(11) . . ?
F23 C12 C11 111.2(10) . . ?
F22 C12 C11 112.7(11) . . ?
F24 C12 C11 109.2(10) . . ?
F13 C7 F15 107.2(10) . . ?
F13 C7 F14 106.6(11) . . ?
F15 C7 F14 105.6(10) . . ?
F13 C7 C8 112.5(10) . . ?
F15 C7 C8 114.2(11) . . ?
F14 C7 C8 110.2(9) . . ?
N1 C19 C20 111.4(10) . . ?
C14 O5 Bi2 121.8(6) . . ?
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
Bi2 O5 2.074(6) . ?
Bi2 O6 2.139(7) . ?
Bi2 O4 2.189(6) . ?
Bi2 N3 2.628(8) . ?
Bi2 N6 2.851(8) . ?
Bi1 O2 2.089(6) . ?
Bi1 O3 2.131(6) . ?
Bi1 O1 2.196(6) . ?
Bi1 N1 2.580(8) . ?
Bi1 N4 2.988(8) . ?
O6 C17 1.400(11) . ?
O2 C5 1.393(10) . ?
N1 C23 1.461(12) . ?
N1 C21 1.469(13) . ?
N1 C19 1.473(13) . ?
O3 C8 1.381(11) . ?
O4 C11 1.383(11) . ?
O1 C2 1.375(11) . ?
C14 O5 1.416(10) . ?
C14 C15 1.509(14) . ?
C14 C13 1.540(15) . ?
N6 C34 1.430(13) . ?
N6 C36 1.444(13) . ?
N6 C32 1.483(13) . ?
N5 C35 1.436(14) . ?
N5 C31 1.438(14) . ?
N5 C33 1.442(13) . ?
N2 C22 1.428(14) . ?
N2 C24 1.461(13) . ?
N2 C20 1.462(14) . ?
F30 C15 1.325(12) . ?
F10 C6 1.344(13) . ?
F9 C4 1.332(11) . ?
F33 C16 1.321(12) . ?
F25 C13 1.315(12) . ?
F29 C15 1.323(13) . ?
F12 C6 1.340(13) . ?
F36 C18 1.358(13) . ?
F32 C16 1.315(13) . ?
F28 C15 1.341(11) . ?
F7 C4 1.369(11) . ?
F6 C3 1.315(12) . ?
F31 C16 1.388(11) . ?
F4 C3 1.341(12) . ?
F8 C4 1.329(11) . ?
F5 C3 1.348(12) . ?
C13 F26 1.318(12) . ?
C13 F27 1.355(13) . ?
N3 C27 1.474(12) . ?
N3 C25 1.477(12) . ?
N3 C29 1.479(12) . ?
C4 C5 1.504(14) . ?
F3 C1 1.325(11) . ?
C2 C1 1.505(14) . ?
C2 C3 1.531(13) . ?
F2 C1 1.308(12) . ?
F34 C18 1.357(15) . ?
C16 C17 1.489(14) . ?
C27 C28 1.570(13) . ?
F35 C18 1.318(13) . ?
C17 C18 1.498(16) . ?
C5 C6 1.487(14) . ?
C25 C26 1.517(13) . ?
C29 C30 1.554(13) . ?
C33 C34 1.549(14) . ?
C6 F11 1.349(12) . ?
C1 F1 1.370(11) . ?
C36 C35 1.575(16) . ?
C32 C31 1.549(15) . ?
F16 C9 1.310(13) . ?
F18 C9 1.325(13) . ?
F14 C7 1.347(13) . ?
N4 C26 1.464(13) . ?
N4 C28 1.473(11) . ?
N4 C30 1.474(13) . ?
F13 C7 1.334(14) . ?
C11 C10 1.549(15) . ?
C11 C12 1.550(14) . ?
F15 C7 1.346(13) . ?
C8 C7 1.502(15) . ?
C8 C9 1.528(15) . ?
C23 C24 1.551(14) . ?
C10 F21 1.314(12) . ?
C10 F19 1.323(13) . ?
C10 F20 1.329(13) . ?
C21 C22 1.521(14) . ?
C20 C19 1.540(15) . ?
C9 F17 1.364(12) . ?
C12 F23 1.313(14) . ?
C12 F22 1.324(15) . ?
C12 F24 1.351(15) . ?
