#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:21:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178714 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/25/4082527.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_4082527
loop_
_publ_author_name
'Sindlinger, Christian P.'
'Stasch, Andreas'
'Wesemann, Lars'
_publ_section_title
;
 Heavy Group 15 Element Compounds of a Sterically Demanding
 Bis(iminophosphorane)methanide and -methanediide
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              322
_journal_paper_doi               10.1021/om401059x
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C52 H62 Bi Cl2 N2 P2'
_chemical_formula_weight         1056.86
_chemical_name_common            L2BiCl2
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_cell_angle_alpha                90
_cell_angle_beta                 104.4740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0435(5)
_cell_length_b                   17.7779(8)
_cell_length_c                   23.3800(10)
_cell_measurement_reflns_used    597
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      31.5125
_cell_measurement_theta_min      2.0977
_cell_volume                     4847.0(4)
_computing_cell_refinement       'APEX2 v2011.8-0 (Bruker AXS)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II DUO CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  Triumph
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            40518
_diffrn_reflns_theta_full        27.25
_diffrn_reflns_theta_max         27.25
_diffrn_reflns_theta_min         1.75
_diffrn_source_type              'micro source'
_exptl_absorpt_coefficient_mu    3.850
_exptl_absorpt_correction_T_max  0.53
_exptl_absorpt_correction_T_min  0.43
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            'clear light yellow-green'
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Bloc
_exptl_crystal_F_000             2140
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.190
_refine_diff_density_max         2.331
_refine_diff_density_min         -1.336
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         10784
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0415P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0747
_reflns_number_gt                8624
_reflns_number_total             10784
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om401059x_si_002.cif
_cod_data_source_block           I
_cod_database_code               4082527
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Bi Bi1 0.604233(9) 0.467236(7) 0.651672(5) 0.01637(5) Uani d . 1
Cl Cl1 0.50653(6) 0.44153(5) 0.74214(3) 0.02086(17) Uani d . 1
Cl Cl2 0.64441(7) 0.32453(6) 0.63936(3) 0.0253(2) Uani d . 1
P P1 0.84019(6) 0.52973(5) 0.66434(3) 0.01218(16) Uani d . 1
P P2 0.79682(7) 0.50422(5) 0.78984(3) 0.01298(16) Uani d . 1
C C1 0.7603(3) 0.51081(19) 0.71458(12) 0.0137(6) Uani d . 1
C C2 0.9808(3) 0.48628(19) 0.68556(12) 0.0152(7) Uani d . 1
C C3 0.9858(3) 0.4077(2) 0.68872(12) 0.0168(7) Uani d . 1
H H5 0.9169 0.3792 0.6781 0.02 Uiso calc R 1
C C4 1.0904(3) 0.3709(2) 0.70730(13) 0.0200(7) Uani d . 1
H H1 1.093 0.3175 0.7088 0.024 Uiso calc R 1
C C5 1.1916(3) 0.4126(2) 0.72377(13) 0.0217(8) Uani d . 1
H H2 1.2632 0.3876 0.7367 0.026 Uiso calc R 1
C C6 1.1879(3) 0.4899(2) 0.72130(14) 0.0226(8) Uani d . 1
H H3 1.2569 0.5182 0.7326 0.027 Uiso calc R 1
C C7 1.0827(3) 0.5270(2) 0.70221(13) 0.0182(7) Uani d . 1
H H4 1.0806 0.5804 0.7006 0.022 Uiso calc R 1
C C8 0.8701(2) 0.62718(19) 0.65098(12) 0.0155(7) Uani d . 1
C C9 0.9309(3) 0.6423(2) 0.60817(13) 0.0187(7) Uani d . 1
H H6 0.9608 0.602 0.5899 0.022 Uiso calc R 1
C C10 0.9472(3) 0.7158(2) 0.59258(14) 0.0243(8) Uani d . 1
H H7 0.9887 0.7258 0.5638 0.029 Uiso calc R 1
C C11 0.9036(3) 0.7745(2) 0.61870(15) 0.0275(8) Uani d . 1
H H8 0.9156 0.8249 0.6079 0.033 Uiso calc R 1
C C12 0.8423(3) 0.7609(2) 0.66045(14) 0.0268(8) Uani d . 1
H H9 0.8118 0.8017 0.678 0.032 Uiso calc R 1
C C13 0.8255(3) 0.6872(2) 0.67660(13) 0.0209(7) Uani d . 1
H H10 0.7835 0.6777 0.7052 0.025 Uiso calc R 1
N N2 0.7515(2) 0.49617(17) 0.60541(10) 0.0141(5) Uani d . 1
C C15 0.7436(2) 0.50972(19) 0.54437(12) 0.0137(6) Uani d . 1
C C16 0.6770(2) 0.5699(2) 0.51442(13) 0.0155(7) Uani d . 1
C C17 0.6632(3) 0.5775(2) 0.45394(13) 0.0182(7) Uani d . 1
H H20 0.619 0.6181 0.4337 0.022 Uiso calc R 1
C C18 0.7127(3) 0.5269(2) 0.42246(13) 0.0185(7) Uani d . 1
H H19 0.7027 0.5331 0.3811 0.022 Uiso calc R 1
C C19 0.7762(3) 0.4678(2) 0.45154(13) 0.0179(7) Uani d . 1
H H11 0.8096 0.4333 0.4297 0.022 Uiso calc R 1
C C20 0.7929(3) 0.45730(19) 0.51193(13) 0.0157(7) Uani d . 1
C C21 0.8633(3) 0.3913(2) 0.54215(13) 0.0181(7) Uani d . 1
H H12 0.8535 0.3887 0.5833 0.022 Uiso calc R 1
C C22 0.8238(3) 0.3159(2) 0.51239(15) 0.0280(8) Uani d . 1
H H13 0.7425 0.3082 0.5108 0.042 Uiso calc R 1
H H14 0.8691 0.2751 0.5351 0.042 Uiso calc R 1
H H15 0.8345 0.316 0.4722 0.042 Uiso calc R 1
C C23 0.9909(3) 0.4044(2) 0.54675(14) 0.0242(8) Uani d . 1
H H17 1.0035 0.4076 0.507 0.036 Uiso calc R 1
H H18 1.0355 0.3625 0.5682 0.036 Uiso calc R 1
H H16 1.0152 0.4514 0.568 0.036 Uiso calc R 1
C C24 0.6151(3) 0.6257(2) 0.54554(13) 0.0190(7) Uani d . 1
H H21 0.6472 0.6202 0.5891 0.023 Uiso calc R 1
C C25 0.6318(3) 0.7076(2) 0.52871(15) 0.0258(8) Uani d . 1
H H23 0.7138 0.7179 0.5347 0.039 Uiso calc R 1
H H22 0.5996 0.7414 0.5535 0.039 Uiso calc R 1
H H24 0.5926 0.7157 0.4871 0.039 Uiso calc R 1
C C26 0.4862(3) 0.6073(2) 0.53138(14) 0.0215(7) Uani d . 1
H H26 0.451 0.6185 0.4898 0.032 Uiso calc R 1
H H25 0.4497 0.6378 0.5565 0.032 Uiso calc R 1
H H27 0.4759 0.5538 0.5389 0.032 Uiso calc R 1
C C27 0.9413(2) 0.54034(19) 0.81754(13) 0.0156(7) Uani d . 1
C C28 1.0301(3) 0.4904(2) 0.84139(13) 0.0205(7) Uani d . 1
H H32 1.0142 0.4385 0.8451 0.025 Uiso calc R 1
C C29 1.1425(3) 0.5169(3) 0.85983(15) 0.0305(10) Uani d . 1
H H31 1.2031 0.4828 0.8757 0.037 Uiso calc R 1
C C30 1.1660(3) 0.5918(3) 0.85528(14) 0.0300(9) Uani d . 1
H H30 1.2426 0.6095 0.8685 0.036 Uiso calc R 1
C C31 1.0786(3) 0.6415(2) 0.83152(14) 0.0272(8) Uani d . 1
H H28 1.0955 0.6933 0.8282 0.033 Uiso calc R 1
C C32 0.9658(3) 0.6163(2) 0.81235(13) 0.0210(7) Uani d . 1
H H29 0.9059 0.6507 0.7959 0.025 Uiso calc R 1
C C33 0.7911(2) 0.40912(19) 0.81591(12) 0.0152(7) Uani d . 1
C C34 0.7704(3) 0.3935(2) 0.87121(13) 0.0222(8) Uani d . 1
H H37 0.7615 0.4338 0.8964 0.027 Uiso calc R 1
C C35 0.7630(3) 0.3203(2) 0.88916(14) 0.0236(8) Uani d . 1
H H36 0.7486 0.3106 0.9266 0.028 Uiso calc R 1
C C36 0.7762(3) 0.2609(2) 0.85333(14) 0.0220(7) Uani d . 1
H H33 0.7706 0.2106 0.866 0.026 Uiso calc R 1
C C37 0.7977(3) 0.2753(2) 0.79864(14) 0.0229(8) Uani d . 1
H H34 0.8066 0.2347 0.7738 0.027 Uiso calc R 1
C C38 0.8061(3) 0.3484(2) 0.78043(14) 0.0195(7) Uani d . 1
H H35 0.8222 0.3577 0.7433 0.023 Uiso calc R 1
N N1 0.7128(2) 0.54790(16) 0.82655(11) 0.0158(6) Uani d . 1
C C40 0.7215(3) 0.62674(19) 0.84222(13) 0.0162(7) Uani d . 1
C C41 0.7987(3) 0.6470(2) 0.89569(13) 0.0184(7) Uani d . 1
C C42 0.8099(3) 0.7234(2) 0.90915(14) 0.0239(8) Uani d . 1
H H38 0.8639 0.7389 0.9441 0.029 Uiso calc R 1
C C43 0.7455(3) 0.7767(2) 0.87359(16) 0.0267(8) Uani d . 1
H H39 0.7565 0.8285 0.8835 0.032 Uiso calc R 1
C C44 0.6644(3) 0.7555(2) 0.82315(15) 0.0237(8) Uani d . 1
H H40 0.6176 0.7927 0.7996 0.028 Uiso calc R 1
C C45 0.6506(3) 0.6800(2) 0.80640(14) 0.0189(7) Uani d . 1
C C46 0.5548(3) 0.6568(2) 0.75314(14) 0.0226(8) Uani d . 1
H H44 0.5789 0.6094 0.7367 0.027 Uiso calc R 1
C C47 0.4470(3) 0.6397(2) 0.77435(17) 0.0312(9) Uani d . 1
H H42 0.4245 0.6846 0.793 0.047 Uiso calc R 1
H H41 0.4629 0.5985 0.8031 0.047 Uiso calc R 1
H H43 0.3845 0.6251 0.7405 0.047 Uiso calc R 1
C C48 0.5282(3) 0.7149(2) 0.70402(16) 0.0325(9) Uani d . 1
H H45 0.4932 0.7592 0.7173 0.049 Uiso calc R 1
H H46 0.475 0.6934 0.6692 0.049 Uiso calc R 1
H H47 0.5994 0.7297 0.6939 0.049 Uiso calc R 1
C C49 0.8606(3) 0.5883(2) 0.94002(13) 0.0200(7) Uani d . 1
H H54 0.8716 0.5424 0.9172 0.024 Uiso calc R 1
C C50 0.7829(3) 0.5666(3) 0.97985(15) 0.0298(9) Uani d . 1
H H48 0.7706 0.6105 1.0029 0.045 Uiso calc R 1
H H49 0.8191 0.5263 1.0067 0.045 Uiso calc R 1
H H50 0.7089 0.549 0.9555 0.045 Uiso calc R 1
C C51 0.9788(3) 0.6131(2) 0.97644(15) 0.0279(8) Uani d . 1
H H53 1.027 0.6265 0.9499 0.042 Uiso calc R 1
H H52 1.0148 0.5718 1.0023 0.042 Uiso calc R 1
H H51 0.9704 0.6568 1.0005 0.042 Uiso calc R 1
C C52 0.5377(4) 0.6150(3) 0.10805(19) 0.0548(13) Uani d . 1
H H57 0.5192 0.578 0.1353 0.082 Uiso calc R 1
H H58 0.5068 0.6642 0.1151 0.082 Uiso calc R 1
H H56 0.6211 0.6185 0.1145 0.082 Uiso calc R 1
C C53 0.4848(4) 0.5906(3) 0.04494(19) 0.0443(11) Uani d . 1
H H59 0.5059 0.6273 0.0176 0.053 Uiso calc R 1
H H60 0.4003 0.5907 0.0378 0.053 Uiso calc R 1
C C54 0.5246(3) 0.5119(3) 0.03178(16) 0.0368(10) Uani d . 1
H H62 0.6094 0.5113 0.0403 0.044 Uiso calc R 1
H H61 0.5013 0.475 0.0583 0.044 Uiso calc R 1
H H55 0.647(3) 0.530(2) 0.8162(16) 0.018(10) Uiso d . 1
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle
C1 Bi1 N2 . 67.48(10)
C1 Bi1 Cl2 . 105.23(9)
N2 Bi1 Cl2 . 88.85(7)
C1 Bi1 Cl1 . 90.15(8)
N2 Bi1 Cl1 . 157.17(6)
Cl2 Bi1 Cl1 . 92.92(3)
C1 Bi1 P1 . 34.80(8)
N2 Bi1 P1 . 32.78(6)
Cl2 Bi1 P1 . 100.01(2)
Cl1 Bi1 P1 . 124.94(2)
N2 P1 C1 . 98.34(14)
N2 P1 C8 . 108.70(14)
C1 P1 C8 . 118.16(15)
N2 P1 C2 . 116.40(14)
C1 P1 C2 . 111.81(14)
C8 P1 C2 . 104.00(15)
N2 P1 Bi1 . 51.41(9)
C1 P1 Bi1 . 47.10(10)
C8 P1 Bi1 . 124.20(10)
C2 P1 Bi1 . 131.81(11)
N1 P2 C1 . 117.65(15)
N1 P2 C33 . 100.52(14)
C1 P2 C33 . 112.99(15)
N1 P2 C27 . 107.54(15)
C1 P2 C27 . 108.67(14)
C33 P2 C27 . 108.98(14)
P2 C1 P1 . 132.11(18)
P2 C1 Bi1 . 128.08(16)
P1 C1 Bi1 . 98.10(13)
C7 C2 C3 . 118.7(3)
C7 C2 P1 . 123.5(3)
C3 C2 P1 . 117.7(2)
C4 C3 C2 . 120.7(3)
C4 C3 H5 . 119.7
C2 C3 H5 . 119.7
C3 C4 C5 . 119.8(3)
C3 C4 H1 . 120.1
C5 C4 H1 . 120.1
C6 C5 C4 . 120.1(3)
C6 C5 H2 . 119.9
C4 C5 H2 . 119.9
C5 C6 C7 . 120.1(3)
C5 C6 H3 . 119.9
C7 C6 H3 . 119.9
C2 C7 C6 . 120.5(3)
C2 C7 H4 . 119.7
C6 C7 H4 . 119.7
C13 C8 C9 . 119.0(3)
C13 C8 P1 . 122.8(2)
C9 C8 P1 . 117.9(2)
C10 C9 C8 . 120.2(3)
C10 C9 H6 . 119.9
C8 C9 H6 . 119.9
C11 C10 C9 . 120.2(3)
C11 C10 H7 . 119.9
C9 C10 H7 . 119.9
C10 C11 C12 . 120.6(3)
C10 C11 H8 . 119.7
C12 C11 H8 . 119.7
C11 C12 C13 . 119.6(3)
C11 C12 H9 . 120.2
C13 C12 H9 . 120.2
C12 C13 C8 . 120.4(3)
C12 C13 H10 . 119.8
C8 C13 H10 . 119.8
C15 N2 P1 . 130.5(2)
C15 N2 Bi1 . 128.80(18)
P1 N2 Bi1 . 95.81(11)
C16 C15 C20 . 119.5(3)
C16 C15 N2 . 120.8(3)
C20 C15 N2 . 119.4(3)
C17 C16 C15 . 119.1(3)
C17 C16 C24 . 118.3(3)
C15 C16 C24 . 122.6(3)
C18 C17 C16 . 121.3(3)
C18 C17 H20 . 119.3
C16 C17 H20 . 119.3
C19 C18 C17 . 119.5(3)
C19 C18 H19 . 120.3
C17 C18 H19 . 120.3
C18 C19 C20 . 121.8(3)
C18 C19 H11 . 119.1
C20 C19 H11 . 119.1
C19 C20 C15 . 118.7(3)
C19 C20 C21 . 120.0(3)
C15 C20 C21 . 121.2(3)
C20 C21 C23 . 110.5(3)
C20 C21 C22 . 113.1(3)
C23 C21 C22 . 110.9(3)
C20 C21 H12 . 107.3
C23 C21 H12 . 107.3
C22 C21 H12 . 107.3
C21 C22 H13 . 109.5
C21 C22 H14 . 109.5
H13 C22 H14 . 109.5
C21 C22 H15 . 109.5
H13 C22 H15 . 109.5
H14 C22 H15 . 109.5
C21 C23 H17 . 109.5
C21 C23 H18 . 109.5
H17 C23 H18 . 109.5
C21 C23 H16 . 109.5
H17 C23 H16 . 109.5
H18 C23 H16 . 109.5
C16 C24 C25 . 112.5(3)
C16 C24 C26 . 110.2(3)
C25 C24 C26 . 109.6(3)
C16 C24 H21 . 108.1
C25 C24 H21 . 108.1
C26 C24 H21 . 108.1
C24 C25 H23 . 109.5
C24 C25 H22 . 109.5
H23 C25 H22 . 109.5
C24 C25 H24 . 109.5
H23 C25 H24 . 109.5
H22 C25 H24 . 109.5
C24 C26 H26 . 109.5
C24 C26 H25 . 109.5
H26 C26 H25 . 109.5
C24 C26 H27 . 109.5
H26 C26 H27 . 109.5
H25 C26 H27 . 109.5
C32 C27 C28 . 119.6(3)
C32 C27 P2 . 121.1(2)
C28 C27 P2 . 119.2(3)
C27 C28 C29 . 119.8(4)
C27 C28 H32 . 120.1
C29 C28 H32 . 120.1
C30 C29 C28 . 120.5(4)
C30 C29 H31 . 119.8
C28 C29 H31 . 119.8
C29 C30 C31 . 120.1(3)
C29 C30 H30 . 120.0
C31 C30 H30 . 120.0
C30 C31 C32 . 120.5(4)
C30 C31 H28 . 119.7
C32 C31 H28 . 119.7
C27 C32 C31 . 119.6(3)
C27 C32 H29 . 120.2
C31 C32 H29 . 120.2
C38 C33 C34 . 118.2(3)
C38 C33 P2 . 120.0(2)
C34 C33 P2 . 121.8(3)
C35 C34 C33 . 120.5(3)
C35 C34 H37 . 119.8
C33 C34 H37 . 119.8
C34 C35 C36 . 120.8(3)
C34 C35 H36 . 119.6
C36 C35 H36 . 119.6
C35 C36 C37 . 119.5(3)
C35 C36 H33 . 120.2
C37 C36 H33 . 120.2
C38 C37 C36 . 120.1(3)
C38 C37 H34 . 119.9
C36 C37 H34 . 119.9
C37 C38 C33 . 120.9(3)
C37 C38 H35 . 119.6
C33 C38 H35 . 119.6
C40 N1 P2 . 124.5(2)
C40 N1 H55 . 116.(2)
P2 N1 H55 . 109.(2)
C45 C40 C41 . 121.8(3)
C45 C40 N1 . 120.6(3)
C41 C40 N1 . 117.6(3)
C42 C41 C40 . 117.1(3)
C42 C41 C49 . 120.7(3)
C40 C41 C49 . 122.0(3)
C43 C42 C41 . 122.0(3)
C43 C42 H38 . 119.0
C41 C42 H38 . 119.0
C42 C43 C44 . 120.1(4)
C42 C43 H39 . 119.9
C44 C43 H39 . 119.9
C43 C44 C45 . 120.7(3)
C43 C44 H40 . 119.6
C45 C44 H40 . 119.6
C44 C45 C40 . 118.0(3)
C44 C45 C46 . 120.1(3)
C40 C45 C46 . 121.8(3)
C48 C46 C45 . 114.0(3)
C48 C46 C47 . 110.1(3)
C45 C46 C47 . 108.5(3)
C48 C46 H44 . 108.0
C45 C46 H44 . 108.0
C47 C46 H44 . 108.0
C46 C47 H42 . 109.5
C46 C47 H41 . 109.5
H42 C47 H41 . 109.5
C46 C47 H43 . 109.5
H42 C47 H43 . 109.5
H41 C47 H43 . 109.5
C46 C48 H45 . 109.5
C46 C48 H46 . 109.5
H45 C48 H46 . 109.5
C46 C48 H47 . 109.5
H45 C48 H47 . 109.5
H46 C48 H47 . 109.5
C50 C49 C41 . 108.5(3)
C50 C49 C51 . 111.1(3)
C41 C49 C51 . 114.1(3)
C50 C49 H54 . 107.6
C41 C49 H54 . 107.6
C51 C49 H54 . 107.6
C49 C50 H48 . 109.5
C49 C50 H49 . 109.5
H48 C50 H49 . 109.5
C49 C50 H50 . 109.5
H48 C50 H50 . 109.5
H49 C50 H50 . 109.5
C49 C51 H53 . 109.5
C49 C51 H52 . 109.5
H53 C51 H52 . 109.5
C49 C51 H51 . 109.5
H53 C51 H51 . 109.5
H52 C51 H51 . 109.5
C53 C52 H57 . 109.5
C53 C52 H58 . 109.5
H57 C52 H58 . 109.5
C53 C52 H56 . 109.5
H57 C52 H56 . 109.5
H58 C52 H56 . 109.5
C52 C53 C54 . 112.3(4)
C52 C53 H59 . 109.1
C54 C53 H59 . 109.1
C52 C53 H60 . 109.1
C54 C53 H60 . 109.1
H59 C53 H60 . 107.9
C54 C54 C53 3_665 112.7(5)
C54 C54 H62 3_665 109.1
C53 C54 H62 . 109.1
C54 C54 H61 3_665 109.1
C53 C54 H61 . 109.1
H62 C54 H61 . 107.8
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Bi1 C1 . 2.217(3)
Bi1 N2 . 2.354(2)
Bi1 Cl2 . 2.6121(10)
Bi1 Cl1 . 2.7040(8)
Bi1 P1 . 2.9961(8)
P1 N2 . 1.630(3)
P1 C1 . 1.727(3)
P1 C8 . 1.813(4)
P1 C2 . 1.814(3)
P2 N1 . 1.672(3)
P2 C1 . 1.708(3)
P2 C33 . 1.804(3)
P2 C27 . 1.815(3)
C2 C7 . 1.394(4)
C2 C3 . 1.399(5)
C3 C4 . 1.389(4)
C3 H5 . 0.95
C4 C5 . 1.396(5)
C4 H1 . 0.95
C5 C6 . 1.376(5)
C5 H2 . 0.95
C6 C7 . 1.399(5)
C6 H3 . 0.95
C7 H4 . 0.95
C8 C13 . 1.394(5)
C8 C9 . 1.406(4)
C9 C10 . 1.383(5)
C9 H6 . 0.95
C10 C11 . 1.379(5)
C10 H7 . 0.95
C11 C12 . 1.384(5)
C11 H8 . 0.95
C12 C13 . 1.393(5)
C12 H9 . 0.95
C13 H10 . 0.95
N2 C15 . 1.427(4)
C15 C16 . 1.414(5)
C15 C20 . 1.422(4)
C16 C17 . 1.389(4)
C16 C24 . 1.529(4)
C17 C18 . 1.387(5)
C17 H20 . 0.95
C18 C19 . 1.376(5)
C18 H19 . 0.95
C19 C20 . 1.388(4)
C19 H11 . 0.95
C20 C21 . 1.515(5)
C21 C23 . 1.531(4)
C21 C22 . 1.531(5)
C21 H12 . 1.0
C22 H13 . 0.98
C22 H14 . 0.98
C22 H15 . 0.98
C23 H17 . 0.98
C23 H18 . 0.98
C23 H16 . 0.98
C24 C25 . 1.535(5)
C24 C26 . 1.539(4)
C24 H21 . 1.0
C25 H23 . 0.98
C25 H22 . 0.98
C25 H24 . 0.98
C26 H26 . 0.98
C26 H25 . 0.98
C26 H27 . 0.98
C27 C32 . 1.394(5)
C27 C28 . 1.395(5)
C28 C29 . 1.395(5)
C28 H32 . 0.95
C29 C30 . 1.371(6)
C29 H31 . 0.95
C30 C31 . 1.380(5)
C30 H30 . 0.95
C31 C32 . 1.394(5)
C31 H28 . 0.95
C32 H29 . 0.95
C33 C38 . 1.400(5)
C33 C34 . 1.404(4)
C34 C35 . 1.377(5)
C34 H37 . 0.95
C35 C36 . 1.382(5)
C35 H36 . 0.95
C36 C37 . 1.390(4)
C36 H33 . 0.95
C37 C38 . 1.380(5)
C37 H34 . 0.95
C38 H35 . 0.95
N1 C40 . 1.446(4)
N1 H55 . 0.83(4)
C40 C45 . 1.403(5)
C40 C41 . 1.406(4)
C41 C42 . 1.392(5)
C41 C49 . 1.528(5)
C42 C43 . 1.367(5)
C42 H38 . 0.95
C43 C44 . 1.383(5)
C43 H39 . 0.95
C44 C45 . 1.396(5)
C44 H40 . 0.95
C45 C46 . 1.527(4)
C46 C48 . 1.518(5)
C46 C47 . 1.532(5)
C46 H44 . 1.0
C47 H42 . 0.98
C47 H41 . 0.98
C47 H43 . 0.98
C48 H45 . 0.98
C48 H46 . 0.98
C48 H47 . 0.98
C49 C50 . 1.526(5)
C49 C51 . 1.530(4)
C49 H54 . 1.0
C50 H48 . 0.98
C50 H49 . 0.98
C50 H50 . 0.98
C51 H53 . 0.98
C51 H52 . 0.98
C51 H51 . 0.98
C52 C53 . 1.517(6)
C52 H57 . 0.98
C52 H58 . 0.98
C52 H56 . 0.98
C53 C54 . 1.535(6)
C53 H59 . 0.99
C53 H60 . 0.99
C54 C54 3_665 1.516(7)
C54 H62 . 0.99
C54 H61 . 0.99
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_site_symmetry_4
_geom_torsion
C1 Bi1 P1 N2 . 174.2(2)
Cl2 Bi1 P1 N2 . 71.84(13)
Cl1 Bi1 P1 N2 . 172.58(13)
N2 Bi1 P1 C1 . -174.2(2)
Cl2 Bi1 P1 C1 . -102.33(15)
Cl1 Bi1 P1 C1 . -1.59(15)
C1 Bi1 P1 C8 . -98.49(19)
N2 Bi1 P1 C8 . 87.34(17)
Cl2 Bi1 P1 C8 . 159.18(12)
Cl1 Bi1 P1 C8 . -100.08(12)
C1 Bi1 P1 C2 . 81.3(2)
N2 Bi1 P1 C2 . -92.83(18)
Cl2 Bi1 P1 C2 . -20.99(13)
Cl1 Bi1 P1 C2 . 79.75(13)
N1 P2 C1 P1 . 134.2(2)
C33 P2 C1 P1 . -109.3(3)
C27 P2 C1 P1 . 11.8(3)
N1 P2 C1 Bi1 . -64.1(3)
C33 P2 C1 Bi1 . 52.4(2)
C27 P2 C1 Bi1 . 173.50(19)
N2 P1 C1 P2 . 160.9(3)
C8 P1 C1 P2 . -82.6(3)
C2 P1 C1 P2 . 38.1(3)
Bi1 P1 C1 P2 . 165.5(4)
N2 P1 C1 Bi1 . -4.60(16)
C8 P1 C1 Bi1 . 111.89(14)
C2 P1 C1 Bi1 . -127.47(14)
N2 Bi1 C1 P2 . -163.0(3)
Cl2 Bi1 C1 P2 . -80.7(2)
Cl1 Bi1 C1 P2 . 12.3(2)
P1 Bi1 C1 P2 . -166.4(3)
N2 Bi1 C1 P1 . 3.41(12)
Cl2 Bi1 C1 P1 . 85.63(13)
Cl1 Bi1 C1 P1 . 178.70(13)
N2 P1 C2 C7 . 134.7(3)
C1 P1 C2 C7 . -113.4(3)
C8 P1 C2 C7 . 15.2(3)
Bi1 P1 C2 C7 . -164.6(2)
N2 P1 C2 C3 . -49.4(3)
C1 P1 C2 C3 . 62.6(3)
C8 P1 C2 C3 . -168.9(2)
Bi1 P1 C2 C3 . 11.3(3)
C7 C2 C3 C4 . -0.9(4)
P1 C2 C3 C4 . -177.0(2)
C2 C3 C4 C5 . 0.9(4)
C3 C4 C5 C6 . -0.4(5)
C4 C5 C6 C7 . -0.1(5)
C3 C2 C7 C6 . 0.5(4)
P1 C2 C7 C6 . 176.3(2)
C5 C6 C7 C2 . 0.0(5)
N2 P1 C8 C13 . 106.6(3)
C1 P1 C8 C13 . -4.2(3)
C2 P1 C8 C13 . -128.7(3)
Bi1 P1 C8 C13 . 51.1(3)
N2 P1 C8 C9 . -66.5(3)
C1 P1 C8 C9 . -177.3(2)
C2 P1 C8 C9 . 58.1(3)
Bi1 P1 C8 C9 . -122.0(2)
C13 C8 C9 C10 . 0.9(4)
P1 C8 C9 C10 . 174.3(2)
C8 C9 C10 C11 . -0.3(5)
C9 C10 C11 C12 . -0.4(5)
C10 C11 C12 C13 . 0.6(5)
C11 C12 C13 C8 . 0.0(5)
C9 C8 C13 C12 . -0.8(4)
P1 C8 C13 C12 . -173.8(2)
C1 P1 N2 C15 . 160.6(3)
C8 P1 N2 C15 . 37.0(3)
C2 P1 N2 C15 . -80.0(3)
Bi1 P1 N2 C15 . 156.2(4)
C1 P1 N2 Bi1 . 4.31(15)
C8 P1 N2 Bi1 . -119.28(13)
C2 P1 N2 Bi1 . 123.78(13)
C1 Bi1 N2 C15 . -160.4(3)
Cl2 Bi1 N2 C15 . 92.5(3)
Cl1 Bi1 N2 C15 . -172.68(19)
P1 Bi1 N2 C15 . -156.9(4)
C1 Bi1 N2 P1 . -3.60(12)
Cl2 Bi1 N2 P1 . -110.62(11)
Cl1 Bi1 N2 P1 . -15.8(3)
P1 N2 C15 C16 . -88.3(4)
Bi1 N2 C15 C16 . 60.8(4)
P1 N2 C15 C20 . 98.6(4)
Bi1 N2 C15 C20 . -112.3(3)
C20 C15 C16 C17 . -1.4(5)
N2 C15 C16 C17 . -174.5(3)
C20 C15 C16 C24 . 176.1(3)
N2 C15 C16 C24 . 3.0(5)
C15 C16 C17 C18 . 0.5(5)
C24 C16 C17 C18 . -177.1(3)
C16 C17 C18 C19 . 0.4(5)
C17 C18 C19 C20 . -0.3(5)
C18 C19 C20 C15 . -0.6(5)
C18 C19 C20 C21 . 179.9(3)
C16 C15 C20 C19 . 1.5(5)
N2 C15 C20 C19 . 174.6(3)
C16 C15 C20 C21 . -179.0(3)
N2 C15 C20 C21 . -5.9(4)
C19 C20 C21 C23 . 73.0(4)
C15 C20 C21 C23 . -106.5(3)
C19 C20 C21 C22 . -52.0(4)
C15 C20 C21 C22 . 128.5(3)
C17 C16 C24 C25 . -48.1(4)
C15 C16 C24 C25 . 134.4(3)
C17 C16 C24 C26 . 74.6(4)
C15 C16 C24 C26 . -102.9(3)
N1 P2 C27 C32 . -61.3(3)
C1 P2 C27 C32 . 67.1(3)
C33 P2 C27 C32 . -169.4(2)
N1 P2 C27 C28 . 122.3(3)
C1 P2 C27 C28 . -109.3(3)
C33 P2 C27 C28 . 14.2(3)
C32 C27 C28 C29 . 0.0(5)
P2 C27 C28 C29 . 176.5(2)
C27 C28 C29 C30 . 0.7(5)
C28 C29 C30 C31 . -1.0(5)
C29 C30 C31 C32 . 0.5(5)
C28 C27 C32 C31 . -0.5(5)
P2 C27 C32 C31 . -176.9(2)
C30 C31 C32 C27 . 0.3(5)
N1 P2 C33 C38 . 152.5(3)
C1 P2 C33 C38 . 26.2(3)
C27 P2 C33 C38 . -94.7(3)
N1 P2 C33 C34 . -26.8(3)
C1 P2 C33 C34 . -153.0(2)
C27 P2 C33 C34 . 86.1(3)
C38 C33 C34 C35 . -1.2(5)
P2 C33 C34 C35 . 178.0(3)
C33 C34 C35 C36 . 0.3(5)
C34 C35 C36 C37 . 0.3(5)
C35 C36 C37 C38 . 0.2(5)
C36 C37 C38 C33 . -1.2(5)
C34 C33 C38 C37 . 1.7(5)
P2 C33 C38 C37 . -177.5(2)
C1 P2 N1 C40 . -83.4(3)
C33 P2 N1 C40 . 153.6(3)
C27 P2 N1 C40 . 39.6(3)
P2 N1 C40 C45 . 96.1(3)
P2 N1 C40 C41 . -87.0(3)
C45 C40 C41 C42 . -5.8(5)
N1 C40 C41 C42 . 177.4(3)
C45 C40 C41 C49 . 169.0(3)
N1 C40 C41 C49 . -7.8(4)
C40 C41 C42 C43 . 2.7(5)
C49 C41 C42 C43 . -172.2(3)
C41 C42 C43 C44 . 1.5(5)
C42 C43 C44 C45 . -2.9(5)
C43 C44 C45 C40 . -0.1(5)
C43 C44 C45 C46 . 175.5(3)
C41 C40 C45 C44 . 4.5(5)
N1 C40 C45 C44 . -178.7(3)
C41 C40 C45 C46 . -171.0(3)
N1 C40 C45 C46 . 5.7(4)
C44 C45 C46 C48 . 33.7(4)
C40 C45 C46 C48 . -150.8(3)
C44 C45 C46 C47 . -89.5(4)
C40 C45 C46 C47 . 86.0(4)
C42 C41 C49 C50 . 89.0(4)
C40 C41 C49 C50 . -85.7(4)
C42 C41 C49 C51 . -35.5(4)
C40 C41 C49 C51 . 149.9(3)
C52 C53 C54 C54 3_665 -178.1(4)
