#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/80/7118028.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_7118028
loop_
_publ_author_name
'Minggang Zhao'
'Lixia Wang'
'Pangpang Li'
'Xiang Zhang'
'Ying Yang'
'Wenjun Zheng'
_publ_section_title
;
 Paddlewheel 1,2,4-diazaphospholide dibismuthanes with very short
 bismuth-bismuth single bonds
;
_journal_name_full               Chem.Commun.
_journal_page_first              16184
_journal_paper_doi               10.1039/C5cc07064C
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C40 H72 Bi2 N8 P4'
_chemical_formula_weight         1206.90
_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
_audit_update_record
;
2015-08-03 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.212(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.3993(14)
_cell_length_b                   10.7452(5)
_cell_length_c                   21.7187(17)
_cell_measurement_reflns_used    5391
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.9650
_cell_measurement_theta_min      3.6190
_cell_volume                     4980.4(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 16.0251
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '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  0.0671
_diffrn_reflns_av_sigmaI/netI    0.1016
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23479
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    7.220
_exptl_absorpt_correction_T_max  0.5321
_exptl_absorpt_correction_T_min  0.3261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2376
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.585
_refine_diff_density_min         -2.066
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         10295
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0956
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0194P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                6860
_reflns_number_total             10295
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc07064c2.cif
_cod_data_source_block           140731-1a
_cod_original_cell_volume        4980.4(5)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7118028
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
Bi1 Bi 0.270283(14) 0.19927(3) 0.239600(18) 0.02951(10) Uani 1 1 d . . .
Bi2 Bi 0.230195(14) -0.03872(3) 0.255987(18) 0.02964(10) Uani 1 1 d . . .
P1 P 0.40387(11) 0.0749(2) 0.47920(13) 0.0389(6) Uani 1 1 d . . .
P2 P 0.10053(11) 0.2516(2) 0.32487(14) 0.0412(6) Uani 1 1 d . . .
P3 P 0.40167(12) -0.1003(2) 0.17563(14) 0.0472(7) Uani 1 1 d . . .
P4 P 0.09357(11) 0.0903(2) 0.01766(13) 0.0418(6) Uani 1 1 d . . .
N1 N 0.3425(3) 0.1193(6) 0.3512(3) 0.0302(17) Uani 1 1 d . . .
N2 N 0.3067(3) 0.0367(6) 0.3685(3) 0.0322(17) Uani 1 1 d . . .
N3 N 0.1595(3) 0.1117(5) 0.2738(3) 0.0259(16) Uani 1 1 d . . .
N4 N 0.1937(3) 0.2194(6) 0.2913(4) 0.0355(19) Uani 1 1 d . . .
N5 N 0.3246(3) 0.0458(5) 0.1971(3) 0.0279(16) Uani 1 1 d . . .
N6 N 0.3236(3) -0.0599(6) 0.2304(4) 0.0331(18) Uani 1 1 d . . .
N7 N 0.1751(3) 0.0213(6) 0.1349(4) 0.0297(16) Uani 1 1 d . . .
N8 N 0.1736(3) 0.1493(5) 0.1368(3) 0.0253(16) Uani 1 1 d . . .
C1 C 0.3957(3) 0.1480(7) 0.4039(4) 0.0269(19) Uani 1 1 d . . .
C2 C 0.3313(4) 0.0054(7) 0.4334(4) 0.0279(19) Uani 1 1 d . . .
C3 C 0.2958(4) -0.0810(8) 0.4598(5) 0.042(2) Uani 1 1 d . . .
C4 C 0.2883(6) -0.2074(9) 0.4304(6) 0.101(5) Uani 1 1 d . . .
H4A H 0.2687 -0.2018 0.3820 0.151 Uiso 1 1 calc R . .
H4B H 0.2627 -0.2567 0.4460 0.151 Uiso 1 1 calc R . .
H4C H 0.3287 -0.2457 0.4440 0.151 Uiso 1 1 calc R . .
C5 C 0.3308(5) -0.0934(10) 0.5360(5) 0.070(3) Uani 1 1 d . . .
H5A H 0.3062 -0.1416 0.5534 0.106 Uiso 1 1 calc R . .
H5B H 0.3382 -0.0122 0.5562 0.106 Uiso 1 1 calc R . .
H5C H 0.3702 -0.1343 0.5464 0.106 Uiso 1 1 calc R . .
C6 C 0.2328(5) -0.0241(10) 0.4465(6) 0.093(5) Uani 1 1 d . . .
H6A H 0.2129 0.0016 0.4001 0.139 Uiso 1 1 calc R . .
H6B H 0.2385 0.0469 0.4753 0.139 Uiso 1 1 calc R . .
H6C H 0.2070 -0.0844 0.4555 0.139 Uiso 1 1 calc R . .
C7 C 0.4458(4) 0.2269(7) 0.3955(5) 0.035(2) Uani 1 1 d . . .
C8 C 0.4980(4) 0.2596(9) 0.4649(5) 0.065(2) Uani 1 1 d . . .
H8A H 0.4806 0.3073 0.4905 0.098 Uiso 1 1 calc R . .
H8B H 0.5298 0.3076 0.4587 0.098 Uiso 1 1 calc R . .
H8C H 0.5161 0.1844 0.4888 0.098 Uiso 1 1 calc R . .
C9 C 0.4196(4) 0.3461(9) 0.3574(5) 0.065(2) Uani 1 1 d . . .
H9A H 0.3846 0.3272 0.3158 0.098 Uiso 1 1 calc R . .
H9B H 0.4515 0.3874 0.3479 0.098 Uiso 1 1 calc R . .
H9C H 0.4062 0.3995 0.3844 0.098 Uiso 1 1 calc R . .
C10 C 0.4741(4) 0.1493(9) 0.3558(5) 0.060(3) Uani 1 1 d . . .
H10A H 0.4884 0.0710 0.3782 0.089 Uiso 1 1 calc R . .
H10B H 0.5087 0.1933 0.3533 0.089 Uiso 1 1 calc R . .
H10C H 0.4428 0.1347 0.3111 0.089 Uiso 1 1 calc R . .
C11 C 0.1074(4) 0.1138(7) 0.2852(4) 0.031(2) Uani 1 1 d . . .
C12 C 0.1689(3) 0.3023(7) 0.3185(4) 0.0264(19) Uani 1 1 d . . .
C13 C 0.2007(4) 0.4269(7) 0.3446(5) 0.037(2) Uani 1 1 d . . .
C14 C 0.1766(5) 0.4844(9) 0.3930(6) 0.076(4) Uani 1 1 d . . .
H14A H 0.1322 0.4968 0.3702 0.114 Uiso 1 1 calc R . .
H14B H 0.1969 0.5630 0.4085 0.114 Uiso 1 1 calc R . .
H14C H 0.1855 0.4299 0.4308 0.114 Uiso 1 1 calc R . .
C15 C 0.1852(5) 0.5155(8) 0.2848(6) 0.069(4) Uani 1 1 d . . .
H15A H 0.2039 0.4852 0.2558 0.104 Uiso 1 1 calc R . .
H15B H 0.2014 0.5968 0.3011 0.104 Uiso 1 1 calc R . .
H15C H 0.1406 0.5202 0.2601 0.104 Uiso 1 1 calc R . .
C16 C 0.2721(4) 0.4135(9) 0.3809(5) 0.066(3) Uani 1 1 d . . .
H16A H 0.2823 0.3610 0.4198 0.099 Uiso 1 1 calc R . .
H16B H 0.2906 0.4941 0.3950 0.099 Uiso 1 1 calc R . .
H16C H 0.2880 0.3771 0.3508 0.099 Uiso 1 1 calc R . .
C17 C 0.0596(4) 0.0110(8) 0.2622(5) 0.035(2) Uani 1 1 d . . .
C18 C 0.0135(5) 0.0239(10) 0.2940(6) 0.083(4) Uani 1 1 d . . .
H18A H 0.0358 0.0298 0.3422 0.124 Uiso 1 1 calc R . .
H18B H -0.0136 -0.0475 0.2830 0.124 Uiso 1 1 calc R . .
H18C H -0.0112 0.0977 0.2772 0.124 Uiso 1 1 calc R . .
C19 C 0.0245(5) 0.0235(11) 0.1861(6) 0.093(4) Uani 1 1 d . . .
H19A H 0.0055 0.1044 0.1754 0.140 Uiso 1 1 calc R . .
H19B H -0.0074 -0.0392 0.1696 0.140 Uiso 1 1 calc R . .
H19C H 0.0532 0.0134 0.1651 0.140 Uiso 1 1 calc R . .
C20 C 0.0878(5) -0.1183(9) 0.2767(7) 0.098(5) Uani 1 1 d . . .
H20A H 0.1086 -0.1354 0.2476 0.147 Uiso 1 1 calc R . .
H20B H 0.0552 -0.1785 0.2688 0.147 Uiso 1 1 calc R . .
H20C H 0.1176 -0.1231 0.3229 0.147 Uiso 1 1 calc R . .
C21 C 0.3614(4) 0.0403(7) 0.1638(4) 0.034(2) Uani 1 1 d . . .
C22 C 0.3620(3) -0.1470(7) 0.2251(4) 0.0282(19) Uani 1 1 d . . .
C23 C 0.3744(4) -0.2683(8) 0.2639(5) 0.039(2) Uani 1 1 d . . .
C24 C 0.4083(6) -0.2430(10) 0.3377(5) 0.092(4) Uani 1 1 d . . .
H24A H 0.4487 -0.2080 0.3467 0.138 Uiso 1 1 calc R . .
H24B H 0.4135 -0.3194 0.3624 0.138 Uiso 1 1 calc R . .
H24C H 0.3845 -0.1855 0.3516 0.138 Uiso 1 1 calc R . .
C25 C 0.3138(5) -0.3360(10) 0.2508(7) 0.113(6) Uani 1 1 d . . .
H25A H 0.3228 -0.4121 0.2762 0.169 Uiso 1 1 calc R . .
H25B H 0.2926 -0.3545 0.2036 0.169 Uiso 1 1 calc R . .
H25C H 0.2875 -0.2843 0.2644 0.169 Uiso 1 1 calc R . .
C26 C 0.4144(5) -0.3546(9) 0.2431(6) 0.069(3) Uani 1 1 d . . .
H26A H 0.4526 -0.3131 0.2488 0.104 Uiso 1 1 calc R . .
H26B H 0.3920 -0.3775 0.1966 0.104 Uiso 1 1 calc R . .
H26C H 0.4240 -0.4281 0.2707 0.104 Uiso 1 1 calc R . .
C27 C 0.3637(4) 0.1457(9) 0.1194(5) 0.046(3) Uani 1 1 d . . .
C28 C 0.4054(5) 0.1112(9) 0.0839(5) 0.077(4) Uani 1 1 d . . .
H28A H 0.4476 0.1006 0.1168 0.116 Uiso 1 1 calc R . .
H28B H 0.4040 0.1762 0.0530 0.116 Uiso 1 1 calc R . .
H28C H 0.3908 0.0348 0.0596 0.116 Uiso 1 1 calc R . .
C29 C 0.3914(5) 0.2633(10) 0.1620(5) 0.075(4) Uani 1 1 d . . .
H29A H 0.3643 0.2905 0.1826 0.113 Uiso 1 1 calc R . .
H29B H 0.3952 0.3280 0.1335 0.113 Uiso 1 1 calc R . .
H29C H 0.4321 0.2444 0.1965 0.113 Uiso 1 1 calc R . .
C30 C 0.2983(5) 0.1727(10) 0.0689(6) 0.077(4) Uani 1 1 d . . .
H30A H 0.2806 0.0991 0.0431 0.115 Uiso 1 1 calc R . .
H30B H 0.2993 0.2380 0.0391 0.115 Uiso 1 1 calc R . .
H30C H 0.2731 0.1984 0.0921 0.115 Uiso 1 1 calc R . .
C31 C 0.1366(4) -0.0239(7) 0.0769(5) 0.034(2) Uani 1 1 d . . .
C32 C 0.1331(4) 0.1998(7) 0.0798(4) 0.028(2) Uani 1 1 d . . .
C33 C 0.1218(4) 0.3383(8) 0.0750(5) 0.039(2) Uani 1 1 d . . .
C34 C 0.0832(5) 0.3754(9) 0.0026(5) 0.077(4) Uani 1 1 d . . .
H34A H 0.1054 0.3543 -0.0245 0.116 Uiso 1 1 calc R . .
H34B H 0.0757 0.4634 0.0003 0.116 Uiso 1 1 calc R . .
H34C H 0.0439 0.3319 -0.0139 0.116 Uiso 1 1 calc R . .
C35 C 0.0844(4) 0.3686(9) 0.1161(5) 0.061(3) Uani 1 1 d . . .
H35A H 0.0785 0.4570 0.1163 0.092 Uiso 1 1 calc R . .
H35B H 0.1068 0.3398 0.1616 0.092 Uiso 1 1 calc R . .
H35C H 0.0444 0.3281 0.0964 0.092 Uiso 1 1 calc R . .
C36 C 0.1829(4) 0.4136(8) 0.1009(6) 0.067(3) Uani 1 1 d . . .
H36A H 0.2077 0.3886 0.0772 0.101 Uiso 1 1 calc R . .
H36B H 0.2059 0.3986 0.1483 0.101 Uiso 1 1 calc R . .
H36C H 0.1733 0.5006 0.0935 0.101 Uiso 1 1 calc R . .
C37 C 0.1337(4) -0.1634(7) 0.0621(4) 0.032(2) Uani 1 1 d . . .
C38 C 0.0888(5) -0.1882(8) -0.0103(5) 0.067(3) Uani 1 1 d . . .
H38A H 0.0474 -0.1623 -0.0169 0.100 Uiso 1 1 calc R . .
H38B H 0.0885 -0.2755 -0.0197 0.100 Uiso 1 1 calc R . .
H38C H 0.1019 -0.1423 -0.0402 0.100 Uiso 1 1 calc R . .
C39 C 0.1110(5) -0.2313(8) 0.1090(5) 0.068(3) Uani 1 1 d . . .
H39A H 0.0725 -0.1947 0.1059 0.102 Uiso 1 1 calc R . .
H39B H 0.1420 -0.2249 0.1546 0.102 Uiso 1 1 calc R . .
H39C H 0.1041 -0.3174 0.0962 0.102 Uiso 1 1 calc R . .
C40 C 0.1989(4) -0.2031(7) 0.0714(5) 0.054(3) Uani 1 1 d . . .
H40A H 0.1992 -0.2910 0.0636 0.081 Uiso 1 1 calc R . .
H40B H 0.2281 -0.1843 0.1166 0.081 Uiso 1 1 calc R . .
H40C H 0.2106 -0.1591 0.0399 0.081 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 '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
N1 Bi1 N5 83.4(2) . .
N1 Bi1 N4 85.2(2) . .
N5 Bi1 N4 143.23(19) . .
N1 Bi1 N8 143.7(2) . .
N5 Bi1 N8 86.5(2) . .
N4 Bi1 N8 82.3(2) . .
N1 Bi1 Bi2 71.80(14) . .
N5 Bi1 Bi2 71.87(13) . .
N4 Bi1 Bi2 71.35(14) . .
N8 Bi1 Bi2 71.90(14) . .
N3 Bi2 N6 144.1(2) . .
N3 Bi2 N7 84.6(2) . .
N6 Bi2 N7 84.8(2) . .
N3 Bi2 N2 83.8(2) . .
N6 Bi2 N2 84.5(2) . .
N7 Bi2 N2 143.2(2) . .
N3 Bi2 Bi1 72.57(13) . .
N6 Bi2 Bi1 71.50(14) . .
N7 Bi2 Bi1 71.61(14) . .
N2 Bi2 Bi1 71.61(15) . .
C2 P1 C1 87.2(4) . .
C12 P2 C11 87.3(4) . .
C21 P3 C22 87.0(4) . .
C32 P4 C31 86.7(4) . .
C1 N1 N2 111.9(7) . .
C1 N1 Bi1 141.4(5) . .
N2 N1 Bi1 104.1(4) . .
C2 N2 N1 114.0(6) . .
C2 N2 Bi2 141.2(5) . .
N1 N2 Bi2 102.5(5) . .
C11 N3 N4 114.0(6) . .
C11 N3 Bi2 139.7(5) . .
N4 N3 Bi2 104.2(4) . .
C12 N4 N3 112.2(6) . .
C12 N4 Bi1 142.0(5) . .
N3 N4 Bi1 104.4(4) . .
C21 N5 N6 114.3(6) . .
C21 N5 Bi1 140.7(5) . .
N6 N5 Bi1 103.6(4) . .
C22 N6 N5 112.4(6) . .
C22 N6 Bi2 140.5(5) . .
N5 N6 Bi2 104.7(4) . .
C31 N7 N8 112.6(7) . .
C31 N7 Bi2 140.9(5) . .
N8 N7 Bi2 103.6(5) . .
C32 N8 N7 113.4(7) . .
C32 N8 Bi1 141.6(5) . .
N7 N8 Bi1 102.5(5) . .
N1 C1 C7 121.3(7) . .
N1 C1 P1 113.7(6) . .
C7 C1 P1 124.7(6) . .
N2 C2 C3 119.6(7) . .
N2 C2 P1 113.1(5) . .
C3 C2 P1 127.3(7) . .
C4 C3 C2 112.7(7) . .
C4 C3 C6 110.9(9) . .
C2 C3 C6 108.9(8) . .
C4 C3 C5 107.7(9) . .
C2 C3 C5 109.5(7) . .
C6 C3 C5 107.0(8) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C3 C5 H5A 109.5 . .
C3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C3 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C9 C7 C1 112.4(6) . .
C9 C7 C10 109.0(8) . .
C1 C7 C10 107.3(7) . .
C9 C7 C8 108.8(7) . .
C1 C7 C8 110.5(7) . .
C10 C7 C8 108.8(7) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N3 C11 C17 122.4(7) . .
N3 C11 P2 112.2(6) . .
C17 C11 P2 125.3(6) . .
N4 C12 C13 121.2(6) . .
N4 C12 P2 114.1(6) . .
C13 C12 P2 124.6(6) . .
C14 C13 C12 110.6(7) . .
C14 C13 C15 108.0(8) . .
C12 C13 C15 108.8(7) . .
C14 C13 C16 108.6(8) . .
C12 C13 C16 111.9(7) . .
C15 C13 C16 108.9(8) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C11 C17 C18 110.7(7) . .
C11 C17 C20 113.8(7) . .
C18 C17 C20 108.8(8) . .
C11 C17 C19 107.0(7) . .
C18 C17 C19 108.7(8) . .
C20 C17 C19 107.6(9) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N5 C21 C27 121.1(7) . .
N5 C21 P3 112.9(6) . .
C27 C21 P3 126.0(6) . .
N6 C22 C23 122.4(7) . .
N6 C22 P3 113.4(6) . .
C23 C22 P3 123.9(6) . .
C24 C23 C25 109.4(9) . .
C24 C23 C26 108.1(8) . .
C25 C23 C26 107.2(9) . .
C24 C23 C22 109.7(8) . .
C25 C23 C22 111.0(7) . .
C26 C23 C22 111.2(7) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C30 C27 C21 108.7(8) . .
C30 C27 C28 110.6(9) . .
C21 C27 C28 110.0(7) . .
C30 C27 C29 109.4(8) . .
C21 C27 C29 110.4(8) . .
C28 C27 C29 107.8(8) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N7 C31 C37 121.4(8) . .
N7 C31 P4 114.0(6) . .
C37 C31 P4 124.4(7) . .
N8 C32 C33 120.4(8) . .
N8 C32 P4 113.3(5) . .
C33 C32 P4 126.2(6) . .
C32 C33 C34 110.3(8) . .
C32 C33 C35 107.3(7) . .
C34 C33 C35 108.2(8) . .
C32 C33 C36 112.6(7) . .
C34 C33 C36 108.2(8) . .
C35 C33 C36 110.2(8) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C33 C36 H36A 109.5 . .
C33 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C33 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C38 C37 C40 108.8(7) . .
C38 C37 C39 109.1(8) . .
C40 C37 C39 112.7(8) . .
C38 C37 C31 110.0(7) . .
C40 C37 C31 107.0(6) . .
C39 C37 C31 109.2(7) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 N1 2.472(7) .
Bi1 N5 2.480(6) .
Bi1 N4 2.483(6) .
Bi1 N8 2.500(6) .
Bi1 Bi2 2.7964(4) .
Bi2 N3 2.454(6) .
Bi2 N6 2.475(5) .
Bi2 N7 2.492(7) .
Bi2 N2 2.499(7) .
P1 C2 1.746(8) .
P1 C1 1.753(8) .
P2 C12 1.748(7) .
P2 C11 1.753(8) .
P3 C21 1.743(8) .
P3 C22 1.756(7) .
P4 C32 1.743(8) .
P4 C31 1.765(8) .
N1 C1 1.336(9) .
N1 N2 1.374(8) .
N2 C2 1.329(9) .
N3 C11 1.341(8) .
N3 N4 1.368(8) .
N4 C12 1.328(9) .
N5 C21 1.334(9) .
N5 N6 1.352(8) .
N6 C22 1.336(9) .
N7 C31 1.305(10) .
N7 N8 1.377(8) .
N8 C32 1.328(9) .
C1 C7 1.517(10) .
C2 C3 1.507(10) .
C3 C4 1.481(12) .
C3 C6 1.509(11) .
C3 C5 1.521(12) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C9 1.511(11) .
C7 C10 1.530(11) .
C7 C8 1.543(12) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C17 1.504(10) .
C12 C13 1.524(10) .
C13 C14 1.513(11) .
C13 C15 1.529(12) .
C13 C16 1.534(11) .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.508(10) .
C17 C20 1.515(12) .
C17 C19 1.521(13) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C27 1.503(11) .
C22 C23 1.514(11) .
C23 C24 1.494(13) .
C23 C25 1.513(12) .
C23 C26 1.513(11) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C30 1.502(13) .
C27 C28 1.514(11) .
C27 C29 1.543(13) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C37 1.529(10) .
C32 C33 1.507(10) .
C33 C34 1.509(12) .
C33 C35 1.519(11) .
C33 C36 1.535(11) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 C38 1.514(12) .
C37 C40 1.515(10) .
C37 C39 1.515(11) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
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
N1 Bi1 Bi2 N3 103.7(2) . . . .
N5 Bi1 Bi2 N3 -167.4(2) . . . .
N4 Bi1 Bi2 N3 12.6(2) . . . .
N8 Bi1 Bi2 N3 -75.2(2) . . . .
N1 Bi1 Bi2 N6 -75.7(2) . . . .
N5 Bi1 Bi2 N6 13.2(2) . . . .
N4 Bi1 Bi2 N6 -166.8(2) . . . .
N8 Bi1 Bi2 N6 105.5(2) . . . .
N1 Bi1 Bi2 N7 -166.3(2) . . . .
N5 Bi1 Bi2 N7 -77.4(2) . . . .
N4 Bi1 Bi2 N7 102.6(2) . . . .
N8 Bi1 Bi2 N7 14.9(2) . . . .
N1 Bi1 Bi2 N2 14.6(2) . . . .
N5 Bi1 Bi2 N2 103.5(2) . . . .
N4 Bi1 Bi2 N2 -76.5(2) . . . .
N8 Bi1 Bi2 N2 -164.3(2) . . . .
N5 Bi1 N1 C1 101.4(9) . . . .
N4 Bi1 N1 C1 -113.6(9) . . . .
N8 Bi1 N1 C1 176.3(7) . . . .
Bi2 Bi1 N1 C1 174.4(9) . . . .
N5 Bi1 N1 N2 -99.7(5) . . . .
N4 Bi1 N1 N2 45.3(4) . . . .
N8 Bi1 N1 N2 -24.8(6) . . . .
Bi2 Bi1 N1 N2 -26.7(4) . . . .
C1 N1 N2 C2 1.7(9) . . . .
Bi1 N1 N2 C2 -164.3(5) . . . .
C1 N1 N2 Bi2 -164.8(5) . . . .
Bi1 N1 N2 Bi2 29.2(4) . . . .
N3 Bi2 N2 C2 100.2(8) . . . .
N6 Bi2 N2 C2 -113.9(8) . . . .
N7 Bi2 N2 C2 172.4(7) . . . .
Bi1 Bi2 N2 C2 173.8(8) . . . .
N3 Bi2 N2 N1 -99.9(4) . . . .
N6 Bi2 N2 N1 46.1(4) . . . .
N7 Bi2 N2 N1 -27.6(6) . . . .
Bi1 Bi2 N2 N1 -26.2(4) . . . .
N6 Bi2 N3 C11 176.6(7) . . . .
N7 Bi2 N3 C11 103.2(8) . . . .
N2 Bi2 N3 C11 -111.8(9) . . . .
Bi1 Bi2 N3 C11 175.6(9) . . . .
N6 Bi2 N3 N4 -21.8(7) . . . .
N7 Bi2 N3 N4 -95.2(5) . . . .
N2 Bi2 N3 N4 49.8(5) . . . .
Bi1 Bi2 N3 N4 -22.8(4) . . . .
C11 N3 N4 C12 2.4(10) . . . .
Bi2 N3 N4 C12 -164.7(5) . . . .
C11 N3 N4 Bi1 -167.4(5) . . . .
Bi2 N3 N4 Bi1 25.5(4) . . . .
N1 Bi1 N4 C12 100.3(9) . . . .
N5 Bi1 N4 C12 172.6(8) . . . .
N8 Bi1 N4 C12 -113.9(9) . . . .
Bi2 Bi1 N4 C12 172.7(10) . . . .
N1 Bi1 N4 N3 -95.1(5) . . . .
N5 Bi1 N4 N3 -22.8(7) . . . .
N8 Bi1 N4 N3 50.7(5) . . . .
Bi2 Bi1 N4 N3 -22.7(4) . . . .
N1 Bi1 N5 C21 -115.6(9) . . . .
N4 Bi1 N5 C21 171.5(8) . . . .
N8 Bi1 N5 C21 99.3(9) . . . .
Bi2 Bi1 N5 C21 171.4(9) . . . .
N1 Bi1 N5 N6 48.9(5) . . . .
N4 Bi1 N5 N6 -23.9(7) . . . .
N8 Bi1 N5 N6 -96.1(5) . . . .
Bi2 Bi1 N5 N6 -24.0(4) . . . .
C21 N5 N6 C22 2.5(10) . . . .
Bi1 N5 N6 C22 -166.8(5) . . . .
C21 N5 N6 Bi2 -163.8(6) . . . .
Bi1 N5 N6 Bi2 26.9(4) . . . .
N3 Bi2 N6 C22 174.9(8) . . . .
N7 Bi2 N6 C22 -111.8(9) . . . .
N2 Bi2 N6 C22 103.5(9) . . . .
Bi1 Bi2 N6 C22 175.9(9) . . . .
N3 Bi2 N6 N5 -25.3(7) . . . .
N7 Bi2 N6 N5 48.1(5) . . . .
N2 Bi2 N6 N5 -96.7(5) . . . .
Bi1 Bi2 N6 N5 -24.3(4) . . . .
N3 Bi2 N7 C31 -111.3(8) . . . .
N6 Bi2 N7 C31 103.1(8) . . . .
N2 Bi2 N7 C31 176.7(7) . . . .
Bi1 Bi2 N7 C31 175.3(9) . . . .
N3 Bi2 N7 N8 46.3(4) . . . .
N6 Bi2 N7 N8 -99.3(4) . . . .
N2 Bi2 N7 N8 -25.6(6) . . . .
Bi1 Bi2 N7 N8 -27.1(4) . . . .
C31 N7 N8 C32 0.6(9) . . . .
Bi2 N7 N8 C32 -164.3(5) . . . .
C31 N7 N8 Bi1 -165.4(5) . . . .
Bi2 N7 N8 Bi1 29.6(4) . . . .
N1 Bi1 N8 C32 172.2(7) . . . .
N5 Bi1 N8 C32 -113.9(8) . . . .
N4 Bi1 N8 C32 101.2(8) . . . .
Bi2 Bi1 N8 C32 174.1(8) . . . .
N1 Bi1 N8 N7 -28.6(6) . . . .
N5 Bi1 N8 N7 45.3(4) . . . .
N4 Bi1 N8 N7 -99.6(4) . . . .
Bi2 Bi1 N8 N7 -26.8(4) . . . .
N2 N1 C1 C7 173.5(6) . . . .
Bi1 N1 C1 C7 -28.6(13) . . . .
N2 N1 C1 P1 -1.0(8) . . . .
Bi1 N1 C1 P1 156.9(5) . . . .
C2 P1 C1 N1 0.1(6) . . . .
C2 P1 C1 C7 -174.2(7) . . . .
N1 N2 C2 C3 177.7(7) . . . .
Bi2 N2 C2 C3 -23.7(12) . . . .
N1 N2 C2 P1 -1.6(9) . . . .
Bi2 N2 C2 P1 156.9(5) . . . .
C1 P1 C2 N2 0.9(6) . . . .
C1 P1 C2 C3 -178.4(7) . . . .
N2 C2 C3 C4 64.9(12) . . . .
P1 C2 C3 C4 -115.8(10) . . . .
N2 C2 C3 C6 -58.5(11) . . . .
P1 C2 C3 C6 120.7(9) . . . .
N2 C2 C3 C5 -175.2(8) . . . .
P1 C2 C3 C5 4.0(11) . . . .
N1 C1 C7 C9 51.0(11) . . . .
P1 C1 C7 C9 -135.1(8) . . . .
N1 C1 C7 C10 -68.7(10) . . . .
P1 C1 C7 C10 105.2(8) . . . .
N1 C1 C7 C8 172.8(7) . . . .
P1 C1 C7 C8 -13.3(10) . . . .
N4 N3 C11 C17 172.7(7) . . . .
Bi2 N3 C11 C17 -26.9(13) . . . .
N4 N3 C11 P2 -3.9(9) . . . .
Bi2 N3 C11 P2 156.5(5) . . . .
C12 P2 C11 N3 3.3(6) . . . .
C12 P2 C11 C17 -173.2(8) . . . .
N3 N4 C12 C13 177.3(7) . . . .
Bi1 N4 C12 C13 -18.9(14) . . . .
N3 N4 C12 P2 0.3(9) . . . .
Bi1 N4 C12 P2 164.1(6) . . . .
C11 P2 C12 N4 -2.0(7) . . . .
C11 P2 C12 C13 -178.9(8) . . . .
N4 C12 C13 C14 -161.0(9) . . . .
P2 C12 C13 C14 15.7(11) . . . .
N4 C12 C13 C15 80.6(10) . . . .
P2 C12 C13 C15 -102.8(8) . . . .
N4 C12 C13 C16 -39.7(11) . . . .
P2 C12 C13 C16 136.9(7) . . . .
N3 C11 C17 C18 168.2(8) . . . .
P2 C11 C17 C18 -15.6(12) . . . .
N3 C11 C17 C20 45.2(13) . . . .
P2 C11 C17 C20 -138.6(8) . . . .
N3 C11 C17 C19 -73.5(10) . . . .
P2 C11 C17 C19 102.7(9) . . . .
N6 N5 C21 C27 174.7(8) . . . .
Bi1 N5 C21 C27 -21.7(14) . . . .
N6 N5 C21 P3 -3.0(9) . . . .
Bi1 N5 C21 P3 160.5(5) . . . .
C22 P3 C21 N5 2.0(7) . . . .
C22 P3 C21 C27 -175.6(9) . . . .
N5 N6 C22 C23 173.4(7) . . . .
Bi2 N6 C22 C23 -27.8(14) . . . .
N5 N6 C22 P3 -0.9(9) . . . .
Bi2 N6 C22 P3 157.9(6) . . . .
C21 P3 C22 N6 -0.6(7) . . . .
C21 P3 C22 C23 -174.8(8) . . . .
N6 C22 C23 C24 -66.1(11) . . . .
P3 C22 C23 C24 107.5(8) . . . .
N6 C22 C23 C25 55.0(12) . . . .
P3 C22 C23 C25 -131.4(8) . . . .
N6 C22 C23 C26 174.3(8) . . . .
P3 C22 C23 C26 -12.0(12) . . . .
N5 C21 C27 C30 -54.7(12) . . . .
P3 C21 C27 C30 122.8(8) . . . .
N5 C21 C27 C28 -175.9(9) . . . .
P3 C21 C27 C28 1.6(13) . . . .
N5 C21 C27 C29 65.3(11) . . . .
P3 C21 C27 C29 -117.3(8) . . . .
N8 N7 C31 C37 176.0(6) . . . .
Bi2 N7 C31 C37 -27.6(12) . . . .
N8 N7 C31 P4 -0.2(8) . . . .
Bi2 N7 C31 P4 156.2(5) . . . .
C32 P4 C31 N7 -0.2(6) . . . .
C32 P4 C31 C37 -176.3(7) . . . .
N7 N8 C32 C33 175.2(6) . . . .
Bi1 N8 C32 C33 -27.0(12) . . . .
N7 N8 C32 P4 -0.8(8) . . . .
Bi1 N8 C32 P4 157.0(5) . . . .
C31 P4 C32 N8 0.5(6) . . . .
C31 P4 C32 C33 -175.2(7) . . . .
N8 C32 C33 C34 170.0(7) . . . .
P4 C32 C33 C34 -14.6(11) . . . .
N8 C32 C33 C35 -72.4(10) . . . .
P4 C32 C33 C35 103.0(8) . . . .
N8 C32 C33 C36 49.0(11) . . . .
P4 C32 C33 C36 -135.6(7) . . . .
N7 C31 C37 C38 -175.8(7) . . . .
P4 C31 C37 C38 0.0(10) . . . .
N7 C31 C37 C40 -57.8(10) . . . .
P4 C31 C37 C40 118.0(7) . . . .
N7 C31 C37 C39 64.5(10) . . . .
P4 C31 C37 C39 -119.8(8) . . . .
