# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_140731-1a
_database_code_depnum_ccdc_archive 'CCDC 1416634'
_audit_update_record             
;
2015-08-03 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H72 Bi2 N8 P4'
_chemical_formula_weight         1206.90

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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'

_cell_length_a                   23.3993(14)
_cell_length_b                   10.7452(5)
_cell_length_c                   21.7187(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.212(8)
_cell_angle_gamma                90.00
_cell_volume                     4980.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5391
_cell_measurement_theta_min      3.6190
_cell_measurement_theta_max      28.9650

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2376
_exptl_absorpt_coefficient_mu    7.220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3261
_exptl_absorpt_correction_T_max  0.5321
_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_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0251
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23479
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_sigmaI/netI    0.1016
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.86
_diffrn_reflns_theta_max         26.50
_reflns_number_total             10295
_reflns_number_gt                6860
_reflns_threshold_expression     >2sigma(I)

_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_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_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0194P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10295
_refine_ls_number_parameters     505
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0956
_refine_ls_R_factor_gt           0.0561
_refine_ls_wR_factor_ref         0.1042
_refine_ls_wR_factor_gt          0.0898
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
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_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
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_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
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) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.50
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.585
_refine_diff_density_min         -2.066
_refine_diff_density_rms         0.170
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_150209-1
_database_code_depnum_ccdc_archive 'CCDC 1416635'
_audit_update_record             
;
2015-08-03 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H56 Bi2 N8 P4'
_chemical_formula_weight         1094.69

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'
Bi Bi -4.1077 10.2566 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5121(2)
_cell_length_b                   13.7719(3)
_cell_length_c                   15.2443(3)
_cell_angle_alpha                90.269(2)
_cell_angle_beta                 101.428(2)
_cell_angle_gamma                93.926(2)
_cell_volume                     2157.73(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    7047
_cell_measurement_theta_min      3.2420
_cell_measurement_theta_max      27.3440

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1060
_exptl_absorpt_coefficient_mu    8.324
_exptl_absorpt_correction_T_min  0.24037
_exptl_absorpt_correction_T_max  1.00000
_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_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.0251
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         28968
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  7.6550
_diffrn_standards_decay_%        none
_diffrn_reflns_number            26642
_diffrn_reflns_av_R_equivalents  0.0404
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.93
_diffrn_reflns_theta_max         26.37
_reflns_number_total             8798
_reflns_number_gt                6503
_reflns_threshold_expression     >2sigma(I)

_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_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_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0293P)²+1.1918P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8798
_refine_ls_number_parameters     425
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0345
_refine_ls_wR_factor_ref         0.0765
_refine_ls_wR_factor_gt          0.0671
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.44731(2) 0.939175(15) 0.423209(13) 0.03636(7) Uani 1 1 d . . .
Bi2 Bi 0.53274(2) 0.414853(15) 0.050572(14) 0.03897(8) Uani 1 1 d . . .
C1 C 0.3425(10) 0.8974(7) 0.8470(5) 0.110(3) Uani 1 1 d . . .
H1A H 0.3393 0.8278 0.8509 0.165 Uiso 1 1 calc R . .
H1B H 0.2560 0.9177 0.8275 0.165 Uiso 1 1 calc R . .
H1C H 0.3795 0.9261 0.9047 0.165 Uiso 1 1 calc R . .
C2 C 0.4249(8) 0.9298(5) 0.7810(4) 0.059(2) Uani 1 1 d . . .
H2 H 0.4146 0.9993 0.7710 0.071 Uiso 1 1 calc R . .
C3 C 0.5668(9) 0.9184(7) 0.8175(5) 0.110(3) Uani 1 1 d . . .
H3A H 0.5783 0.8527 0.8366 0.165 Uiso 1 1 calc R . .
H3B H 0.5970 0.9623 0.8675 0.165 Uiso 1 1 calc R . .
H3C H 0.6157 0.9328 0.7717 0.165 Uiso 1 1 calc R . .
C4 C 0.3803(7) 0.8772(4) 0.6915(4) 0.0450(16) Uani 1 1 d . . .
C5 C 0.3040(6) 0.7795(4) 0.5576(4) 0.0432(15) Uani 1 1 d . . .
C6 C 0.2502(7) 0.7130(4) 0.4793(4) 0.0473(16) Uani 1 1 d . . .
H6 H 0.3213 0.7015 0.4483 0.057 Uiso 1 1 calc R . .
C7 C 0.1980(10) 0.6158(5) 0.5067(5) 0.099(3) Uani 1 1 d . . .
H7A H 0.2664 0.5847 0.5451 0.149 Uiso 1 1 calc R . .
H7B H 0.1653 0.5756 0.4543 0.149 Uiso 1 1 calc R . .
H7C H 0.1289 0.6250 0.5380 0.149 Uiso 1 1 calc R . .
C8 C 0.1456(7) 0.7583(5) 0.4140(4) 0.063(2) Uani 1 1 d . . .
H8A H 0.0729 0.7676 0.4419 0.095 Uiso 1 1 calc R . .
H8B H 0.1180 0.7163 0.3624 0.095 Uiso 1 1 calc R . .
H8C H 0.1790 0.8201 0.3961 0.095 Uiso 1 1 calc R . .
C9 C 0.7266(9) 0.6380(5) 0.4069(5) 0.082(3) Uani 1 1 d . . .
H9A H 0.8150 0.6491 0.3995 0.122 Uiso 1 1 calc R . .
H9B H 0.6803 0.5931 0.3614 0.122 Uiso 1 1 calc R . .
H9C H 0.7255 0.6113 0.4648 0.122 Uiso 1 1 calc R . .
C10 C 0.6630(7) 0.7322(4) 0.3991(4) 0.0501(17) Uani 1 1 d . . .
H10 H 0.5696 0.7183 0.3967 0.060 Uiso 1 1 calc R . .
C11 C 0.6812(9) 0.7795(5) 0.3104(4) 0.086(3) Uani 1 1 d . . .
H11A H 0.6520 0.8441 0.3082 0.129 Uiso 1 1 calc R . .
H11B H 0.6315 0.7412 0.2610 0.129 Uiso 1 1 calc R . .
H11C H 0.7716 0.7825 0.3070 0.129 Uiso 1 1 calc R . .
C12 C 0.7160(6) 0.8010(4) 0.4763(4) 0.0394(14) Uani 1 1 d . . .
C13 C 0.8235(6) 0.9049(4) 0.6003(4) 0.0417(14) Uani 1 1 d . . .
C14 C 0.9054(7) 0.9631(5) 0.6770(4) 0.0585(18) Uani 1 1 d . . .
H14 H 0.8561 1.0171 0.6908 0.070 Uiso 1 1 calc R . .
C15 C 1.0304(8) 1.0056(6) 0.6516(5) 0.081(2) Uani 1 1 d . . .
H15A H 1.0823 0.9538 0.6409 0.122 Uiso 1 1 calc R . .
H15B H 1.0783 1.0469 0.6996 0.122 Uiso 1 1 calc R . .
H15C H 1.0094 1.0431 0.5984 0.122 Uiso 1 1 calc R . .
C16 C 0.9369(9) 0.9022(6) 0.7600(5) 0.098(3) Uani 1 1 d . . .
H16A H 0.8578 0.8802 0.7784 0.148 Uiso 1 1 calc R . .
H16B H 0.9914 0.9409 0.8073 0.148 Uiso 1 1 calc R . .
H16C H 0.9817 0.8471 0.7470 0.148 Uiso 1 1 calc R . .
C17 C 0.2424(12) 0.8139(6) 0.1706(7) 0.136(3) Uani 1 1 d . . .
H17A H 0.3080 0.8263 0.2237 0.204 Uiso 1 1 calc R . .
H17B H 0.1678 0.7790 0.1858 0.204 Uiso 1 1 calc R . .
H17C H 0.2175 0.8746 0.1441 0.204 Uiso 1 1 calc R . .
C18 C 0.2961(9) 0.7533(5) 0.1042(5) 0.077(2) Uani 1 1 d . . .
H18 H 0.2289 0.7396 0.0503 0.092 Uiso 1 1 calc R . .
C19 C 0.4063(12) 0.8132(6) 0.0810(7) 0.136(3) Uani 1 1 d . . .
H19A H 0.4636 0.8373 0.1349 0.204 Uiso 1 1 calc R . .
H19B H 0.3740 0.8670 0.0456 0.204 Uiso 1 1 calc R . .
H19C H 0.4529 0.7742 0.0475 0.204 Uiso 1 1 calc R . .
C20 C 0.3415(7) 0.6580(4) 0.1456(4) 0.0486(16) Uani 1 1 d . . .
C21 C 0.3999(6) 0.5122(4) 0.2226(4) 0.0445(15) Uani 1 1 d . . .
C22 C 0.4278(7) 0.4218(5) 0.2775(4) 0.0597(19) Uani 1 1 d . . .
H22 H 0.5152 0.4041 0.2734 0.072 Uiso 1 1 calc R . .
C23 C 0.3341(9) 0.3377(5) 0.2425(5) 0.092(3) Uani 1 1 d . . .
H23A H 0.2484 0.3516 0.2496 0.138 Uiso 1 1 calc R . .
H23B H 0.3596 0.2805 0.2752 0.138 Uiso 1 1 calc R . .
H23C H 0.3340 0.3270 0.1802 0.138 Uiso 1 1 calc R . .
C24 C 0.4262(10) 0.4406(6) 0.3748(5) 0.099(3) Uani 1 1 d . . .
H24A H 0.4887 0.4934 0.3975 0.149 Uiso 1 1 calc R . .
H24B H 0.4479 0.3832 0.4083 0.149 Uiso 1 1 calc R . .
H24C H 0.3410 0.4573 0.3806 0.149 Uiso 1 1 calc R . .
C25 C 0.2274(11) 0.1395(5) -0.0918(6) 0.113(3) Uani 1 1 d U . .
H25A H 0.1479 0.1389 -0.1356 0.170 Uiso 1 1 calc R . .
H25B H 0.2329 0.0778 -0.0627 0.170 Uiso 1 1 calc R . .
H25C H 0.3001 0.1511 -0.1207 0.170 Uiso 1 1 calc R . .
C26 C 0.2294(10) 0.2178(5) -0.0244(5) 0.087(3) Uani 1 1 d U . .
H26 H 0.3128 0.2201 0.0180 0.105 Uiso 1 1 calc R . .
C27 C 0.1215(10) 0.1944(7) 0.0255(6) 0.126(4) Uani 1 1 d . . .
H27A H 0.0439 0.1721 -0.0161 0.189 Uiso 1 1 calc R . .
H27B H 0.1056 0.2518 0.0565 0.189 Uiso 1 1 calc R . .
H27C H 0.1462 0.1445 0.0679 0.189 Uiso 1 1 calc R . .
C28 C 0.2148(7) 0.3152(4) -0.0692(4) 0.0489(16) Uani 1 1 d . . .
C29 C 0.1717(7) 0.4637(4) -0.1466(4) 0.0495(16) Uani 1 1 d . . .
C30 C 0.1275(8) 0.5544(5) -0.1963(5) 0.068(2) Uani 1 1 d . . .
H30 H 0.2052 0.5928 -0.2064 0.081 Uiso 1 1 calc R . .
C31 C 0.0412(9) 0.5316(6) -0.2856(5) 0.084(3) Uani 1 1 d . . .
H31A H 0.0852 0.4924 -0.3207 0.127 Uiso 1 1 calc R . .
H31B H 0.0208 0.5911 -0.3161 0.127 Uiso 1 1 calc R . .
H31C H -0.0377 0.4968 -0.2773 0.127 Uiso 1 1 calc R . .
C32 C 0.0590(14) 0.6160(8) -0.1407(7) 0.170(6) Uani 1 1 d . . .
H32A H 0.0376 0.6753 -0.1712 0.255 Uiso 1 1 calc R . .
H32B H 0.1150 0.6310 -0.0838 0.255 Uiso 1 1 calc R . .
H32C H -0.0193 0.5808 -0.1317 0.255 Uiso 1 1 calc R . .
N1 N 0.4173(5) 0.9178(3) 0.6209(3) 0.0425(12) Uani 1 1 d . . .
N2 N 0.6496(5) 0.8767(3) 0.4876(3) 0.0383(11) Uani 1 1 d . . .
N3 N 0.3730(5) 0.8610(3) 0.5444(3) 0.0393(12) Uani 1 1 d . . .
N4 N 0.7115(5) 0.9364(3) 0.5591(3) 0.0417(12) Uani 1 1 d . . .
N5 N 0.2845(5) 0.4684(3) -0.0906(3) 0.0447(13) Uani 1 1 d . . .
N6 N 0.4296(5) 0.5145(3) 0.1420(3) 0.0402(12) Uani 1 1 d . . .
N7 N 0.3103(5) 0.3836(3) -0.0467(3) 0.0432(12) Uani 1 1 d . . .
N8 N 0.3955(5) 0.5986(3) 0.0967(3) 0.0450(13) Uani 1 1 d . . .
P1 P 0.3263(2) 0.61388(14) 0.24973(12) 0.0618(5) Uani 1 1 d . . .
P2 P 0.0855(2) 0.35120(15) -0.14900(15) 0.0756(6) Uani 1 1 d . . .
P3 P 0.2869(2) 0.76710(12) 0.66856(12) 0.0569(5) Uani 1 1 d . . .
P4 P 0.86167(19) 0.79626(13) 0.55370(13) 0.0576(5) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Bi1 N2 2.378(5) . ?
Bi1 N3 2.379(4) . ?
Bi1 N4 2.522(5) 2_676 ?
Bi1 N1 2.523(5) 2_676 ?
Bi1 Bi1 2.8630(4) 2_676 ?
Bi2 N5 2.398(5) 2_665 ?
Bi2 N6 2.405(4) . ?
Bi2 N8 2.516(5) 2_665 ?
Bi2 N7 2.517(5) . ?
Bi2 Bi2 2.8611(4) 2_665 ?
C1 C2 1.503(10) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.504(10) . ?
C2 C4 1.517(8) . ?
C2 H2 0.9800 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 N1 1.329(7) . ?
C4 P3 1.743(6) . ?
C5 N3 1.332(7) . ?
C5 C6 1.495(8) . ?
C5 P3 1.744(6) . ?
C6 C8 1.502(8) . ?
C6 C7 1.504(9) . ?
C6 H6 0.9800 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.494(8) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C12 1.501(8) . ?
C10 C11 1.543(8) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 N2 1.323(7) . ?
C12 P4 1.744(6) . ?
C13 N4 1.322(7) . ?
C13 C14 1.500(9) . ?
C13 P4 1.758(6) . ?
C14 C16 1.515(9) . ?
C14 C15 1.523(9) . ?
C14 H14 0.9800 . ?
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 1.524(10) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.476(12) . ?
C18 C20 1.524(9) . ?
C18 H18 0.9800 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 N8 1.331(7) . ?
C20 P1 1.735(6) . ?
C21 N6 1.328(7) . ?
C21 C22 1.515(8) . ?
C21 P1 1.732(6) . ?
C22 C23 1.492(10) . ?
C22 C24 1.509(9) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.481(10) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.504(11) . ?
C26 C28 1.511(8) . ?
C26 H26 0.9800 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 N7 1.320(7) . ?
C28 P2 1.737(7) . ?
C29 N5 1.314(7) . ?
C29 C30 1.516(8) . ?
C29 P2 1.737(6) . ?
C30 C31 1.498(9) . ?
C30 C32 1.508(12) . ?
C30 H30 0.9800 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
N1 N3 1.383(6) . ?
N1 Bi1 2.523(5) 2_676 ?
N2 N4 1.388(6) . ?
N4 Bi1 2.522(5) 2_676 ?
N5 N7 1.365(6) . ?
N5 Bi2 2.398(5) 2_665 ?
N6 N8 1.383(6) . ?
N8 Bi2 2.516(5) 2_665 ?

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
N2 Bi1 N3 84.17(16) . . ?
N2 Bi1 N4 144.82(14) . 2_676 ?
N3 Bi1 N4 84.59(15) . 2_676 ?
N2 Bi1 N1 85.56(16) . 2_676 ?
N3 Bi1 N1 144.88(14) . 2_676 ?
N4 Bi1 N1 84.76(16) 2_676 2_676 ?
N2 Bi1 Bi1 74.37(11) . 2_676 ?
N3 Bi1 Bi1 74.82(11) . 2_676 ?
N4 Bi1 Bi1 70.52(11) 2_676 2_676 ?
N1 Bi1 Bi1 70.07(10) 2_676 2_676 ?
N5 Bi2 N6 85.01(17) 2_665 . ?
N5 Bi2 N8 85.22(17) 2_665 2_665 ?
N6 Bi2 N8 145.04(14) . 2_665 ?
N5 Bi2 N7 144.52(14) 2_665 . ?
N6 Bi2 N7 86.16(16) . . ?
N8 Bi2 N7 82.63(16) 2_665 . ?
N5 Bi2 Bi2 73.47(11) 2_665 2_665 ?
N6 Bi2 Bi2 73.89(10) . 2_665 ?
N8 Bi2 Bi2 71.15(11) 2_665 2_665 ?
N7 Bi2 Bi2 71.06(10) . 2_665 ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1 C2 C3 111.5(7) . . ?
C1 C2 C4 111.6(7) . . ?
C3 C2 C4 111.0(6) . . ?
C1 C2 H2 107.5 . . ?
C3 C2 H2 107.5 . . ?
C4 C2 H2 107.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N1 C4 C2 117.3(5) . . ?
N1 C4 P3 114.6(4) . . ?
C2 C4 P3 128.1(5) . . ?
N3 C5 C6 118.7(5) . . ?
N3 C5 P3 112.7(4) . . ?
C6 C5 P3 128.5(5) . . ?
C5 C6 C8 111.4(5) . . ?
C5 C6 C7 112.6(5) . . ?
C8 C6 C7 109.4(6) . . ?
C5 C6 H6 107.8 . . ?
C8 C6 H6 107.8 . . ?
C7 C6 H6 107.8 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C9 C10 C12 112.9(6) . . ?
C9 C10 C11 108.3(6) . . ?
C12 C10 C11 110.2(5) . . ?
C9 C10 H10 108.5 . . ?
C12 C10 H10 108.5 . . ?
C11 C10 H10 108.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 C10 118.4(6) . . ?
N2 C12 P4 114.1(4) . . ?
C10 C12 P4 127.5(4) . . ?
N4 C13 C14 119.6(5) . . ?
N4 C13 P4 113.5(4) . . ?
C14 C13 P4 126.8(5) . . ?
C13 C14 C16 111.5(6) . . ?
C13 C14 C15 110.5(6) . . ?
C16 C14 C15 110.1(6) . . ?
C13 C14 H14 108.2 . . ?
C16 C14 H14 108.2 . . ?
C15 C14 H14 108.2 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C17 106.3(7) . . ?
C19 C18 C20 110.6(7) . . ?
C17 C18 C20 110.8(7) . . ?
C19 C18 H18 109.7 . . ?
C17 C18 H18 109.7 . . ?
C20 C18 H18 109.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N8 C20 C18 117.9(6) . . ?
N8 C20 P1 114.6(4) . . ?
C18 C20 P1 127.5(5) . . ?
N6 C21 C22 117.8(5) . . ?
N6 C21 P1 114.1(4) . . ?
C22 C21 P1 128.1(4) . . ?
C23 C22 C24 109.8(6) . . ?
C23 C22 C21 111.8(6) . . ?
C24 C22 C21 111.3(6) . . ?
C23 C22 H22 107.9 . . ?
C24 C22 H22 107.9 . . ?
C21 C22 H22 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C25 C26 C27 108.9(8) . . ?
C25 C26 C28 110.5(6) . . ?
C27 C26 C28 110.9(7) . . ?
C25 C26 H26 108.8 . . ?
C27 C26 H26 108.8 . . ?
C28 C26 H26 108.8 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N7 C28 C26 118.2(7) . . ?
N7 C28 P2 113.7(4) . . ?
C26 C28 P2 128.2(6) . . ?
N5 C29 C30 119.0(6) . . ?
N5 C29 P2 113.4(4) . . ?
C30 C29 P2 127.5(5) . . ?
C31 C30 C32 109.8(8) . . ?
C31 C30 C29 112.6(6) . . ?
C32 C30 C29 110.7(7) . . ?
C31 C30 H30 107.9 . . ?
C32 C30 H30 107.9 . . ?
C29 C30 H30 107.9 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C4 N1 N3 111.2(5) . . ?
C4 N1 Bi1 142.0(4) . 2_676 ?
N3 N1 Bi1 106.8(3) . 2_676 ?
C12 N2 N4 112.6(5) . . ?
C12 N2 Bi1 138.2(4) . . ?
N4 N2 Bi1 109.1(3) . . ?
C5 N3 N1 114.1(4) . . ?
C5 N3 Bi1 137.6(4) . . ?
N1 N3 Bi1 108.3(3) . . ?
C13 N4 N2 112.8(5) . . ?
C13 N4 Bi1 140.9(4) . 2_676 ?
N2 N4 Bi1 105.8(3) . 2_676 ?
C29 N5 N7 113.4(5) . . ?
C29 N5 Bi2 136.5(4) . 2_665 ?
N7 N5 Bi2 109.9(4) . 2_665 ?
C21 N6 N8 112.8(5) . . ?
C21 N6 Bi2 138.1(4) . . ?
N8 N6 Bi2 109.1(3) . . ?
C28 N7 N5 112.5(5) . . ?
C28 N7 Bi2 142.0(4) . . ?
N5 N7 Bi2 105.5(3) . . ?
C20 N8 N6 111.5(5) . . ?
C20 N8 Bi2 142.5(4) . 2_665 ?
N6 N8 Bi2 105.9(3) . 2_665 ?
C21 P1 C20 87.0(3) . . ?
C28 P2 C29 87.0(3) . . ?
C4 P3 C5 87.3(3) . . ?
C12 P4 C13 87.0(3) . . ?

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
C1 C2 C4 N1 160.4(6) . . . . ?
C3 C2 C4 N1 -74.5(8) . . . . ?
C1 C2 C4 P3 -20.6(9) . . . . ?
C3 C2 C4 P3 104.4(7) . . . . ?
N3 C5 C6 C8 -68.0(8) . . . . ?
P3 C5 C6 C8 110.7(6) . . . . ?
N3 C5 C6 C7 168.7(6) . . . . ?
P3 C5 C6 C7 -12.6(9) . . . . ?
C9 C10 C12 N2 -165.3(6) . . . . ?
C11 C10 C12 N2 73.5(7) . . . . ?
C9 C10 C12 P4 17.2(8) . . . . ?
C11 C10 C12 P4 -104.0(6) . . . . ?
N4 C13 C14 C16 125.0(7) . . . . ?
P4 C13 C14 C16 -56.9(8) . . . . ?
N4 C13 C14 C15 -112.2(7) . . . . ?
P4 C13 C14 C15 65.9(8) . . . . ?
C19 C18 C20 N8 -60.0(9) . . . . ?
C17 C18 C20 N8 -177.6(8) . . . . ?
C19 C18 C20 P1 122.5(7) . . . . ?
C17 C18 C20 P1 4.9(11) . . . . ?
N6 C21 C22 C23 -73.3(8) . . . . ?
P1 C21 C22 C23 103.8(7) . . . . ?
N6 C21 C22 C24 163.5(6) . . . . ?
P1 C21 C22 C24 -19.4(9) . . . . ?
C25 C26 C28 N7 -118.8(8) . . . . ?
C27 C26 C28 N7 120.4(8) . . . . ?
C25 C26 C28 P2 61.2(10) . . . . ?
C27 C26 C28 P2 -59.7(9) . . . . ?
N5 C29 C30 C31 150.8(7) . . . . ?
P2 C29 C30 C31 -33.4(10) . . . . ?
N5 C29 C30 C32 -85.9(10) . . . . ?
P2 C29 C30 C32 89.9(9) . . . . ?
C2 C4 N1 N3 178.4(5) . . . . ?
P3 C4 N1 N3 -0.7(6) . . . . ?
C2 C4 N1 Bi1 2.9(10) . . . 2_676 ?
P3 C4 N1 Bi1 -176.2(4) . . . 2_676 ?
C10 C12 N2 N4 -177.7(5) . . . . ?
P4 C12 N2 N4 0.2(6) . . . . ?
C10 C12 N2 Bi1 5.2(8) . . . . ?
P4 C12 N2 Bi1 -176.9(3) . . . . ?
N3 Bi1 N2 C12 97.1(5) . . . . ?
N4 Bi1 N2 C12 169.1(5) 2_676 . . . ?
N1 Bi1 N2 C12 -116.6(5) 2_676 . . . ?
Bi1 Bi1 N2 C12 172.9(6) 2_676 . . . ?
N3 Bi1 N2 N4 -80.1(3) . . . . ?
N4 Bi1 N2 N4 -8.1(6) 2_676 . . . ?
N1 Bi1 N2 N4 66.3(3) 2_676 . . . ?
Bi1 Bi1 N2 N4 -4.3(3) 2_676 . . . ?
C6 C5 N3 N1 179.5(5) . . . . ?
P3 C5 N3 N1 0.6(6) . . . . ?
C6 C5 N3 Bi1 -1.6(9) . . . . ?
P3 C5 N3 Bi1 179.5(3) . . . . ?
C4 N1 N3 C5 0.1(7) . . . . ?
Bi1 N1 N3 C5 177.2(4) 2_676 . . . ?
C4 N1 N3 Bi1 -179.1(4) . . . . ?
Bi1 N1 N3 Bi1 -2.1(4) 2_676 . . . ?
N2 Bi1 N3 C5 -101.8(6) . . . . ?
N4 Bi1 N3 C5 111.6(6) 2_676 . . . ?
N1 Bi1 N3 C5 -175.5(5) 2_676 . . . ?
Bi1 Bi1 N3 C5 -177.1(6) 2_676 . . . ?
N2 Bi1 N3 N1 77.2(4) . . . . ?
N4 Bi1 N3 N1 -69.4(4) 2_676 . . . ?
N1 Bi1 N3 N1 3.4(6) 2_676 . . . ?
Bi1 Bi1 N3 N1 1.8(3) 2_676 . . . ?
C14 C13 N4 N2 177.7(5) . . . . ?
P4 C13 N4 N2 -0.6(6) . . . . ?
C14 C13 N4 Bi1 -12.4(10) . . . 2_676 ?
P4 C13 N4 Bi1 169.3(4) . . . 2_676 ?
C12 N2 N4 C13 0.3(7) . . . . ?
Bi1 N2 N4 C13 178.2(4) . . . . ?
C12 N2 N4 Bi1 -173.1(3) . . . 2_676 ?
Bi1 N2 N4 Bi1 4.8(3) . . . 2_676 ?
C30 C29 N5 N7 176.8(6) . . . . ?
P2 C29 N5 N7 0.4(7) . . . . ?
C30 C29 N5 Bi2 -8.0(10) . . . 2_665 ?
P2 C29 N5 Bi2 175.5(3) . . . 2_665 ?
C22 C21 N6 N8 177.7(5) . . . . ?
P1 C21 N6 N8 0.2(7) . . . . ?
C22 C21 N6 Bi2 -4.3(10) . . . . ?
P1 C21 N6 Bi2 178.2(3) . . . . ?
N5 Bi2 N6 C21 -103.9(6) 2_665 . . . ?
N8 Bi2 N6 C21 -178.2(5) 2_665 . . . ?
N7 Bi2 N6 C21 110.5(6) . . . . ?
Bi2 Bi2 N6 C21 -178.2(6) 2_665 . . . ?
N5 Bi2 N6 N8 74.2(4) 2_665 . . . ?
N8 Bi2 N6 N8 -0.1(6) 2_665 . . . ?
N7 Bi2 N6 N8 -71.4(4) . . . . ?
Bi2 Bi2 N6 N8 -0.1(3) 2_665 . . . ?
C26 C28 N7 N5 -179.0(5) . . . . ?
P2 C28 N7 N5 1.0(7) . . . . ?
C26 C28 N7 Bi2 2.0(10) . . . . ?
P2 C28 N7 Bi2 -178.0(4) . . . . ?
C29 N5 N7 C28 -0.9(7) . . . . ?
Bi2 N5 N7 C28 -177.3(4) 2_665 . . . ?
C29 N5 N7 Bi2 178.5(4) . . . . ?
Bi2 N5 N7 Bi2 2.0(4) 2_665 . . . ?
N5 Bi2 N7 C28 175.8(6) 2_665 . . . ?
N6 Bi2 N7 C28 -108.4(7) . . . . ?
N8 Bi2 N7 C28 104.8(7) 2_665 . . . ?
Bi2 Bi2 N7 C28 177.4(7) 2_665 . . . ?
N5 Bi2 N7 N5 -3.3(6) 2_665 . . . ?
N6 Bi2 N7 N5 72.6(3) . . . . ?
N8 Bi2 N7 N5 -74.2(3) 2_665 . . . ?
Bi2 Bi2 N7 N5 -1.7(3) 2_665 . . . ?
C18 C20 N8 N6 -178.9(6) . . . . ?
P1 C20 N8 N6 -1.1(7) . . . . ?
C18 C20 N8 Bi2 4.1(11) . . . 2_665 ?
P1 C20 N8 Bi2 -178.1(4) . . . 2_665 ?
C21 N6 N8 C20 0.6(7) . . . . ?
Bi2 N6 N8 C20 -178.0(4) . . . . ?
C21 N6 N8 Bi2 178.7(4) . . . 2_665 ?
Bi2 N6 N8 Bi2 0.1(4) . . . 2_665 ?
N6 C21 P1 C20 -0.6(5) . . . . ?
C22 C21 P1 C20 -177.8(6) . . . . ?
N8 C20 P1 C21 1.0(5) . . . . ?
C18 C20 P1 C21 178.6(7) . . . . ?
N7 C28 P2 C29 -0.7(5) . . . . ?
C26 C28 P2 C29 179.4(6) . . . . ?
N5 C29 P2 C28 0.1(5) . . . . ?
C30 C29 P2 C28 -175.9(6) . . . . ?
N1 C4 P3 C5 0.9(5) . . . . ?
C2 C4 P3 C5 -178.1(6) . . . . ?
N3 C5 P3 C4 -0.8(5) . . . . ?
C6 C5 P3 C4 -179.6(6) . . . . ?
N2 C12 P4 C13 -0.4(4) . . . . ?
C10 C12 P4 C13 177.2(5) . . . . ?
N4 C13 P4 C12 0.5(5) . . . . ?
C14 C13 P4 C12 -177.6(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.457
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.129
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_141015-3a
_database_code_depnum_ccdc_archive 'CCDC 1416636'
_audit_update_record             
;
2015-08-03 deposited with the CCDC.
2015-09-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H20 Bi N4 P2'
_chemical_formula_weight         683.40

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.4968(2)
_cell_length_b                   20.3504(4)
_cell_length_c                   13.5884(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.027(2)
_cell_angle_gamma                90.00
_cell_volume                     2606.42(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9109
_cell_measurement_theta_min      3.0080
_cell_measurement_theta_max      28.7350

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.742
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1316
_exptl_absorpt_coefficient_mu    6.911
_exptl_absorpt_correction_T_min  0.56518
_exptl_absorpt_correction_T_max  1.00000
_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_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Eos
_diffrn_detector_area_resol_mean 16.0251
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         29157
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  57.4000
_diffrn_standards_decay_%        none
_diffrn_reflns_number            26600
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.78
_diffrn_reflns_theta_max         26.37
_reflns_number_total             5319
_reflns_number_gt                3889
_reflns_threshold_expression     >2sigma(I)

_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_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_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0151P)²+0.2924P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5319
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0296
_refine_ls_wR_factor_ref         0.0463
_refine_ls_wR_factor_gt          0.0415
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.535735(16) -0.005254(7) 0.606063(10) 0.03028(5) Uani 1 1 d . . .
C1 C 0.4565(5) 0.1586(2) 0.2541(3) 0.0442(12) Uani 1 1 d . . .
H1 H 0.3877 0.1354 0.2827 0.053 Uiso 1 1 calc R . .
C2 C 0.4379(6) 0.1703(2) 0.1532(3) 0.0537(14) Uani 1 1 d . . .
H2 H 0.3574 0.1545 0.1146 0.064 Uiso 1 1 calc R . .
C3 C 0.5367(6) 0.2050(3) 0.1099(4) 0.0625(15) Uani 1 1 d . . .
H3 H 0.5234 0.2130 0.0420 0.075 Uiso 1 1 calc R . .
C4 C 0.6563(6) 0.2281(3) 0.1671(4) 0.0623(15) Uani 1 1 d . . .
H4 H 0.7241 0.2518 0.1380 0.075 Uiso 1 1 calc R . .
C5 C 0.6753(5) 0.2158(2) 0.2687(3) 0.0502(13) Uani 1 1 d . . .
H5 H 0.7563 0.2315 0.3069 0.060 Uiso 1 1 calc R . .
C6 C 0.5770(5) 0.1811(2) 0.3137(3) 0.0382(11) Uani 1 1 d . . .
C7 C 0.5983(4) 0.1684(2) 0.4207(3) 0.0337(10) Uani 1 1 d . . .
C8 C 0.6453(4) 0.1598(2) 0.5978(3) 0.0339(10) Uani 1 1 d . . .
C9 C 0.6781(5) 0.15911(19) 0.7073(3) 0.0351(10) Uani 1 1 d . . .
C10 C 0.8096(5) 0.1796(2) 0.7523(3) 0.0474(12) Uani 1 1 d . . .
H10 H 0.8767 0.1955 0.7138 0.057 Uiso 1 1 calc R . .
C11 C 0.8411(5) 0.1766(3) 0.8537(3) 0.0584(14) Uani 1 1 d . . .
H11 H 0.9297 0.1905 0.8831 0.070 Uiso 1 1 calc R . .
C12 C 0.7447(5) 0.1536(3) 0.9122(3) 0.0618(15) Uani 1 1 d . . .
H12 H 0.7673 0.1519 0.9807 0.074 Uiso 1 1 calc R . .
C13 C 0.6137(5) 0.1329(3) 0.8686(3) 0.0649(16) Uani 1 1 d . . .
H13 H 0.5479 0.1167 0.9078 0.078 Uiso 1 1 calc R . .
C14 C 0.5796(5) 0.1362(2) 0.7671(3) 0.0499(13) Uani 1 1 d . . .
H14 H 0.4902 0.1230 0.7384 0.060 Uiso 1 1 calc R . .
C15 C 0.1874(5) 0.0955(2) 0.7978(3) 0.0505(13) Uani 1 1 d . . .
H15 H 0.1464 0.1341 0.7712 0.061 Uiso 1 1 calc R . .
C16 C 0.2173(5) 0.0894(3) 0.8995(4) 0.0626(15) Uani 1 1 d . . .
H16 H 0.1952 0.1236 0.9404 0.075 Uiso 1 1 calc R . .
C17 C 0.2795(5) 0.0332(3) 0.9409(4) 0.0629(15) Uani 1 1 d . . .
H17 H 0.3017 0.0296 1.0092 0.076 Uiso 1 1 calc R . .
C18 C 0.3085(5) -0.0177(3) 0.8795(3) 0.0578(14) Uani 1 1 d . . .
H18 H 0.3497 -0.0561 0.9067 0.069 Uiso 1 1 calc R . .
C19 C 0.2770(5) -0.0120(2) 0.7785(3) 0.0477(12) Uani 1 1 d . . .
H19 H 0.2958 -0.0471 0.7383 0.057 Uiso 1 1 calc R . .
C20 C 0.2173(4) 0.0452(2) 0.7347(3) 0.0368(11) Uani 1 1 d . . .
C21 C 0.1930(4) 0.0530(2) 0.6265(3) 0.0360(10) Uani 1 1 d . . .
C22 C 0.1381(4) 0.0700(2) 0.4511(3) 0.0395(11) Uani 1 1 d . . .
C23 C 0.0980(4) 0.0839(3) 0.3446(3) 0.0473(13) Uani 1 1 d . . .
C24 C 0.0572(5) 0.1462(3) 0.3122(4) 0.0714(17) Uani 1 1 d . . .
H24 H 0.0495 0.1794 0.3583 0.086 Uiso 1 1 calc R . .
C25 C 0.0276(6) 0.1598(4) 0.2120(5) 0.094(2) Uani 1 1 d . . .
H25 H 0.0003 0.2019 0.1910 0.113 Uiso 1 1 calc R . .
C26 C 0.0386(6) 0.1113(5) 0.1443(5) 0.096(3) Uani 1 1 d . . .
H26 H 0.0184 0.1207 0.0771 0.115 Uiso 1 1 calc R . .
C27 C 0.0789(5) 0.0488(4) 0.1735(4) 0.079(2) Uani 1 1 d . . .
H27 H 0.0871 0.0162 0.1265 0.095 Uiso 1 1 calc R . .
C28 C 0.1074(4) 0.0350(3) 0.2741(3) 0.0562(14) Uani 1 1 d . . .
H28 H 0.1331 -0.0074 0.2945 0.067 Uiso 1 1 calc R . .
N1 N 0.5474(3) 0.11310(16) 0.4560(2) 0.0345(8) Uani 1 1 d . . .
N2 N 0.5740(3) 0.10815(16) 0.5565(2) 0.0340(8) Uani 1 1 d . . .
N3 N 0.2858(3) 0.02380(16) 0.5737(2) 0.0364(9) Uani 1 1 d . . .
N4 N 0.2550(3) 0.03381(18) 0.4752(2) 0.0385(9) Uani 1 1 d . . .
P1 P 0.05672(13) 0.09476(7) 0.55371(10) 0.0513(4) Uani 1 1 d . . .
P2 P 0.68331(14) 0.21967(6) 0.51311(9) 0.0472(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Bi1 N3 2.433(3) . ?
Bi1 N2 2.444(3) . ?
Bi1 N1 2.447(3) 3_656 ?
Bi1 N4 2.458(3) 3_656 ?
Bi1 Bi1 2.8873(3) 3_656 ?
C1 C2 1.381(6) . ?
C1 C6 1.396(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.364(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.392(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.373(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.467(5) . ?
C7 N1 1.336(5) . ?
C7 P2 1.751(4) . ?
C8 N2 1.336(5) . ?
C8 C9 1.483(5) . ?
C8 P2 1.743(4) . ?
C9 C10 1.386(5) . ?
C9 C14 1.392(6) . ?
C10 C11 1.376(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.366(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.376(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.379(6) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.382(6) . ?
C15 C20 1.386(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.377(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.374(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.396(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.468(5) . ?
C21 N3 1.341(5) . ?
C21 P1 1.751(4) . ?
C22 N4 1.339(5) . ?
C22 C23 1.477(5) . ?
C22 P1 1.749(4) . ?
C23 C24 1.383(7) . ?
C23 C28 1.392(6) . ?
C24 C25 1.384(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.362(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.372(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.390(6) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
N1 N2 1.362(4) . ?
N1 Bi1 2.447(3) 3_656 ?
N3 N4 1.351(4) . ?
N4 Bi1 2.458(3) 3_656 ?

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
N3 Bi1 N2 83.99(11) . . ?
N3 Bi1 N1 83.64(11) . 3_656 ?
N2 Bi1 N1 143.58(10) . 3_656 ?
N3 Bi1 N4 143.20(10) . 3_656 ?
N2 Bi1 N4 86.79(11) . 3_656 ?
N1 Bi1 N4 82.98(12) 3_656 3_656 ?
N3 Bi1 Bi1 72.35(8) . 3_656 ?
N2 Bi1 Bi1 71.32(7) . 3_656 ?
N1 Bi1 Bi1 72.30(7) 3_656 3_656 ?
N4 Bi1 Bi1 70.94(7) 3_656 3_656 ?
C2 C1 C6 121.1(5) . . ?
C2 C1 H1 119.5 . . ?
C6 C1 H1 119.5 . . ?
C3 C2 C1 120.4(5) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 119.8(5) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 H3 120.1 . . ?
C3 C4 C5 119.7(5) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 121.4(5) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C1 117.7(4) . . ?
C5 C6 C7 120.9(4) . . ?
C1 C6 C7 121.4(4) . . ?
N1 C7 C6 119.4(4) . . ?
N1 C7 P2 113.6(3) . . ?
C6 C7 P2 127.0(3) . . ?
N2 C8 C9 116.5(4) . . ?
N2 C8 P2 114.1(3) . . ?
C9 C8 P2 129.4(3) . . ?
C10 C9 C14 118.5(4) . . ?
C10 C9 C8 120.4(4) . . ?
C14 C9 C8 121.1(4) . . ?
C11 C10 C9 120.1(4) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C12 C11 C10 121.2(4) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C11 C12 C13 119.3(4) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C12 C13 C14 120.3(5) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C9 120.5(4) . . ?
C13 C14 H14 119.7 . . ?
C9 C14 H14 119.7 . . ?
C16 C15 C20 121.3(4) . . ?
C16 C15 H15 119.3 . . ?
C20 C15 H15 119.3 . . ?
C17 C16 C15 120.6(5) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C16 C17 C18 119.0(5) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C19 C18 C17 120.4(5) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 121.6(4) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C15 C20 C19 117.0(4) . . ?
C15 C20 C21 121.4(4) . . ?
C19 C20 C21 121.5(4) . . ?
N3 C21 C20 117.1(4) . . ?
N3 C21 P1 113.7(3) . . ?
C20 C21 P1 129.2(3) . . ?
N4 C22 C23 116.8(4) . . ?
N4 C22 P1 113.4(3) . . ?
C23 C22 P1 129.7(3) . . ?
C24 C23 C28 118.4(5) . . ?
C24 C23 C22 121.0(5) . . ?
C28 C23 C22 120.5(4) . . ?
C23 C24 C25 120.8(6) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C26 C25 C24 119.8(7) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C27 121.2(6) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C26 C27 C28 119.1(6) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
C27 C28 C23 120.7(5) . . ?
C27 C28 H28 119.6 . . ?
C23 C28 H28 119.6 . . ?
C7 N1 N2 113.0(3) . . ?
C7 N1 Bi1 138.4(3) . 3_656 ?
N2 N1 Bi1 107.0(2) . 3_656 ?
C8 N2 N1 112.6(3) . . ?
C8 N2 Bi1 135.4(3) . . ?
N1 N2 Bi1 109.3(2) . . ?
C21 N3 N4 112.8(3) . . ?
C21 N3 Bi1 134.5(3) . . ?
N4 N3 Bi1 107.7(2) . . ?
C22 N4 N3 113.4(3) . . ?
C22 N4 Bi1 135.4(3) . 3_656 ?
N3 N4 Bi1 108.7(2) . 3_656 ?
C22 P1 C21 86.7(2) . . ?
C8 P2 C7 86.68(19) . . ?

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
C6 C1 C2 C3 -0.8(7) . . . . ?
C1 C2 C3 C4 0.4(7) . . . . ?
C2 C3 C4 C5 0.0(8) . . . . ?
C3 C4 C5 C6 -0.1(8) . . . . ?
C4 C5 C6 C1 -0.3(7) . . . . ?
C4 C5 C6 C7 179.9(4) . . . . ?
C2 C1 C6 C5 0.7(6) . . . . ?
C2 C1 C6 C7 -179.5(4) . . . . ?
C5 C6 C7 N1 -148.4(4) . . . . ?
C1 C6 C7 N1 31.8(6) . . . . ?
C5 C6 C7 P2 32.9(6) . . . . ?
C1 C6 C7 P2 -146.8(4) . . . . ?
N2 C8 C9 C10 138.6(4) . . . . ?
P2 C8 C9 C10 -42.8(6) . . . . ?
N2 C8 C9 C14 -39.5(6) . . . . ?
P2 C8 C9 C14 139.1(4) . . . . ?
C14 C9 C10 C11 0.5(7) . . . . ?
C8 C9 C10 C11 -177.6(4) . . . . ?
C9 C10 C11 C12 0.0(8) . . . . ?
C10 C11 C12 C13 0.1(9) . . . . ?
C11 C12 C13 C14 -0.8(9) . . . . ?
C12 C13 C14 C9 1.3(8) . . . . ?
C10 C9 C14 C13 -1.2(7) . . . . ?
C8 C9 C14 C13 177.0(4) . . . . ?
C20 C15 C16 C17 0.8(8) . . . . ?
C15 C16 C17 C18 -1.6(8) . . . . ?
C16 C17 C18 C19 0.7(8) . . . . ?
C17 C18 C19 C20 1.0(7) . . . . ?
C16 C15 C20 C19 0.9(7) . . . . ?
C16 C15 C20 C21 -176.5(4) . . . . ?
C18 C19 C20 C15 -1.8(6) . . . . ?
C18 C19 C20 C21 175.6(4) . . . . ?
C15 C20 C21 N3 144.4(4) . . . . ?
C19 C20 C21 N3 -32.8(6) . . . . ?
C15 C20 C21 P1 -36.4(6) . . . . ?
C19 C20 C21 P1 146.3(4) . . . . ?
N4 C22 C23 C24 -135.1(5) . . . . ?
P1 C22 C23 C24 44.0(7) . . . . ?
N4 C22 C23 C28 41.6(6) . . . . ?
P1 C22 C23 C28 -139.3(4) . . . . ?
C28 C23 C24 C25 -0.5(7) . . . . ?
C22 C23 C24 C25 176.2(5) . . . . ?
C23 C24 C25 C26 0.0(9) . . . . ?
C24 C25 C26 C27 -0.1(10) . . . . ?
C25 C26 C27 C28 0.7(9) . . . . ?
C26 C27 C28 C23 -1.2(8) . . . . ?
C24 C23 C28 C27 1.1(7) . . . . ?
C22 C23 C28 C27 -175.7(4) . . . . ?
C6 C7 N1 N2 -179.5(3) . . . . ?
P2 C7 N1 N2 -0.7(5) . . . . ?
C6 C7 N1 Bi1 17.9(6) . . . 3_656 ?
P2 C7 N1 Bi1 -163.3(2) . . . 3_656 ?
C9 C8 N2 N1 179.5(3) . . . . ?
P2 C8 N2 N1 0.7(4) . . . . ?
C9 C8 N2 Bi1 -21.6(6) . . . . ?
P2 C8 N2 Bi1 159.6(2) . . . . ?
C7 N1 N2 C8 0.0(5) . . . . ?
Bi1 N1 N2 C8 168.0(3) 3_656 . . . ?
C7 N1 N2 Bi1 -164.5(3) . . . . ?
Bi1 N1 N2 Bi1 3.5(3) 3_656 . . . ?
N3 Bi1 N2 C8 124.2(4) . . . . ?
N1 Bi1 N2 C8 -165.1(3) 3_656 . . . ?
N4 Bi1 N2 C8 -91.5(4) 3_656 . . . ?
Bi1 Bi1 N2 C8 -162.4(4) 3_656 . . . ?
N3 Bi1 N2 N1 -76.4(2) . . . . ?
N1 Bi1 N2 N1 -5.7(4) 3_656 . . . ?
N4 Bi1 N2 N1 68.0(2) 3_656 . . . ?
Bi1 Bi1 N2 N1 -3.0(2) 3_656 . . . ?
C20 C21 N3 N4 -179.8(3) . . . . ?
P1 C21 N3 N4 0.9(5) . . . . ?
C20 C21 N3 Bi1 -28.8(6) . . . . ?
P1 C21 N3 Bi1 151.9(2) . . . . ?
N2 Bi1 N3 C21 -84.5(4) . . . . ?
N1 Bi1 N3 C21 129.8(4) 3_656 . . . ?
N4 Bi1 N3 C21 -161.0(3) 3_656 . . . ?
Bi1 Bi1 N3 C21 -156.8(4) 3_656 . . . ?
N2 Bi1 N3 N4 67.5(3) . . . . ?
N1 Bi1 N3 N4 -78.2(3) 3_656 . . . ?
N4 Bi1 N3 N4 -8.9(4) 3_656 . . . ?
Bi1 Bi1 N3 N4 -4.7(2) 3_656 . . . ?
C23 C22 N4 N3 179.3(4) . . . . ?
P1 C22 N4 N3 0.1(5) . . . . ?
C23 C22 N4 Bi1 19.8(6) . . . 3_656 ?
P1 C22 N4 Bi1 -159.5(2) . . . 3_656 ?
C21 N3 N4 C22 -0.6(5) . . . . ?
Bi1 N3 N4 C22 -159.4(3) . . . . ?
C21 N3 N4 Bi1 164.4(3) . . . 3_656 ?
Bi1 N3 N4 Bi1 5.6(3) . . . 3_656 ?
N4 C22 P1 C21 0.3(4) . . . . ?
C23 C22 P1 C21 -178.8(4) . . . . ?
N3 C21 P1 C22 -0.7(3) . . . . ?
C20 C21 P1 C22 -179.9(4) . . . . ?
N2 C8 P2 C7 -0.9(3) . . . . ?
C9 C8 P2 C7 -179.5(4) . . . . ?
N1 C7 P2 C8 0.8(3) . . . . ?
C6 C7 P2 C8 179.6(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.948
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.105
