#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:07:02 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233762 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/92/4349247.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_4349247
loop_
_publ_author_name
'Arlt, Sören'
'Harloff, Jörg'
'Schulz, Axel'
'Stoffers, Alrik'
'Villinger, Alexander'
_publ_section_title
;
 Cyanido Antimonate(III) and Bismuthate(III) Anions.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12321
_journal_page_last               12328
_journal_paper_doi               10.1021/acs.inorgchem.6b02174
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         '3(C24 H20 P +), C6 Bi N6 3-'
_chemical_formula_sum            'C78 H60 Bi N6 P3'
_chemical_formula_weight         1383.21
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                96.274(2)
_cell_angle_beta                 112.1270(10)
_cell_angle_gamma                109.475(2)
_cell_formula_units_Z            2
_cell_length_a                   14.2170(5)
_cell_length_b                   15.1544(5)
_cell_length_c                   17.7507(5)
_cell_measurement_reflns_used    9713
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.68
_cell_measurement_theta_min      2.54
_cell_volume                     3217.00(19)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0394
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            105722
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.499
_diffrn_reflns_theta_min         2.206
_exptl_absorpt_coefficient_mu    2.865
_exptl_absorpt_correction_T_max  0.7473
_exptl_absorpt_correction_T_min  0.6031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_description       prism
_exptl_crystal_F_000             1396
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.160
_refine_diff_density_max         1.030
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     819
_refine_ls_number_reflns         23100
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0250P)²+0.4952P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0545
_refine_ls_wR_factor_ref         0.0578
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19481
_reflns_number_total             23100
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b02174_si_002.cif
_cod_data_source_block           av_as969293_PPh4_6_Bi2CN11_CN
_cod_database_code               4349247
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.470
_shelx_estimated_absorpt_t_max   0.657
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.34956(2) 0.27249(2) 0.86567(2) 0.02746(2) Uani 1 1 d . . . . .
N1 N 0.51344(15) 0.16232(14) 1.00335(12) 0.0512(4) Uani 1 1 d . . . . .
N2 N 0.53155(19) 0.30158(15) 0.75838(13) 0.0613(5) Uani 1 1 d . . . . .
C3A C 0.1961(5) 0.3026(3) 0.7595(3) 0.0468(10) Uani 0.751(5) 1 d . . P A 1
N3A N 0.1224(3) 0.3146(3) 0.71655(16) 0.0571(9) Uani 0.751(5) 1 d . . P A 1
C3B C 0.2254(16) 0.3281(12) 0.7573(12) 0.0468(10) Uani 0.249(5) 1 d . . P A 2
N3B N 0.1832(10) 0.3657(8) 0.7220(5) 0.0571(9) Uani 0.249(5) 1 d . . P A 2
N4 N 0.16120(14) 0.20001(12) 0.96096(11) 0.0438(4) Uani 1 1 d . . . . .
N5 N 0.19962(18) 0.04120(14) 0.73128(15) 0.0683(6) Uani 1 1 d . . . . .
N6 N 0.5353(7) 0.5430(6) 1.0169(5) 0.0421(15) Uani 0.5 1 d . . P . .
C7A C 0.4784(12) 0.4915(16) 0.4885(16) 0.073(8) Uani 0.37(9) 1 d D . P B 1
N7A N 0.5627(8) 0.5212(11) 0.5407(7) 0.077(4) Uani 0.37(9) 1 d D . P B 1
C7B C 0.5627(8) 0.5212(11) 0.5407(7) 0.077(4) Uani 0.13(9) 1 d D . P B 2
N7B N 0.4784(12) 0.4915(16) 0.4885(16) 0.073(8) Uani 0.13(9) 1 d D . P B 2
C1 C 0.45857(16) 0.19101(15) 0.96007(13) 0.0420(4) Uani 1 1 d . . . . .
C2 C 0.47098(19) 0.28894(15) 0.78449(14) 0.0488(5) Uani 1 1 d . . . . .
C4 C 0.21670(16) 0.22118(14) 0.92784(12) 0.0385(4) Uani 1 1 d . . . . .
C5 C 0.24906(16) 0.11710(14) 0.77592(13) 0.0414(4) Uani 1 1 d . . . . .
C6 C 0.4825(10) 0.4771(7) 0.9680(8) 0.0446(18) Uani 0.5 1 d . . P . .
P1 P 0.40662(3) 0.16887(3) 0.30370(2) 0.02100(7) Uani 1 1 d . . . . .
C8 C 0.26043(12) 0.12759(11) 0.27585(9) 0.0243(3) Uani 1 1 d . . . . .
C9 C 0.18296(15) 0.04946(14) 0.20617(12) 0.0392(4) Uani 1 1 d . . . . .
H9 H 0.2064 0.0194 0.1710 0.047 Uiso 1 1 calc R U . . .
C10 C 0.07092(16) 0.01538(15) 0.18802(14) 0.0487(5) Uani 1 1 d . . . . .
H10 H 0.0182 -0.0391 0.1412 0.058 Uiso 1 1 calc R U . . .
C11 C 0.03595(15) 0.05938(16) 0.23683(14) 0.0467(5) Uani 1 1 d . . . . .
H11 H -0.0409 0.0361 0.2234 0.056 Uiso 1 1 calc R U . . .
C12 C 0.11159(15) 0.13711(17) 0.30517(13) 0.0461(5) Uani 1 1 d . . . . .
H12 H 0.0869 0.1675 0.3390 0.055 Uiso 1 1 calc R U . . .
C13 C 0.22379(14) 0.17171(14) 0.32536(11) 0.0358(4) Uani 1 1 d . . . . .
H13 H 0.2757 0.2255 0.3730 0.043 Uiso 1 1 calc R U . . .
C14 C 0.48035(12) 0.19289(10) 0.41657(9) 0.0225(3) Uani 1 1 d . . . . .
C15 C 0.48371(12) 0.26967(11) 0.47061(9) 0.0258(3) Uani 1 1 d . . . . .
H15 H 0.4552 0.3144 0.4482 0.031 Uiso 1 1 calc R U . . .
C16 C 0.52888(13) 0.28009(13) 0.55697(10) 0.0316(4) Uani 1 1 d . . . . .
H16 H 0.5307 0.3318 0.5937 0.038 Uiso 1 1 calc R U . . .
C17 C 0.57117(14) 0.21566(13) 0.58984(10) 0.0345(4) Uani 1 1 d . . . . .
H17 H 0.5998 0.2221 0.6489 0.041 Uiso 1 1 calc R U . . .
C18 C 0.57203(14) 0.14185(13) 0.53725(11) 0.0336(4) Uani 1 1 d . . . . .
H18 H 0.6040 0.0994 0.5605 0.040 Uiso 1 1 calc R U . . .
C19 C 0.52625(13) 0.12954(12) 0.45048(10) 0.0270(3) Uani 1 1 d . . . . .
H19 H 0.5261 0.0783 0.4143 0.032 Uiso 1 1 calc R U . . .
C20 C 0.45300(13) 0.27464(11) 0.26873(9) 0.0242(3) Uani 1 1 d . . . . .
C21 C 0.54140(14) 0.36109(12) 0.32265(10) 0.0309(3) Uani 1 1 d . . . . .
H21 H 0.5776 0.3673 0.3814 0.037 Uiso 1 1 calc R U . . .
C22 C 0.57632(16) 0.43820(13) 0.29014(12) 0.0380(4) Uani 1 1 d . . . . .
H22 H 0.6355 0.4978 0.3270 0.046 Uiso 1 1 calc R U . . .
C23 C 0.52580(16) 0.42908(13) 0.20466(12) 0.0379(4) Uani 1 1 d . . . . .
H23 H 0.5519 0.4816 0.1827 0.045 Uiso 1 1 calc R U . . .
C24 C 0.43750(17) 0.34391(13) 0.15104(11) 0.0378(4) Uani 1 1 d . . . . .
H24 H 0.4024 0.3382 0.0923 0.045 Uiso 1 1 calc R U . . .
C25 C 0.39972(15) 0.26670(12) 0.18241(10) 0.0327(4) Uani 1 1 d . . . . .
H25 H 0.3379 0.2085 0.1455 0.039 Uiso 1 1 calc R U . . .
C26 C 0.42994(12) 0.07346(11) 0.25473(9) 0.0243(3) Uani 1 1 d . . . . .
C27 C 0.50377(13) 0.09524(12) 0.21851(10) 0.0286(3) Uani 1 1 d . . . . .
H27 H 0.5366 0.1596 0.2151 0.034 Uiso 1 1 calc R U . . .
C28 C 0.52892(14) 0.02246(13) 0.18755(11) 0.0347(4) Uani 1 1 d . . . . .
H28 H 0.5786 0.0370 0.1624 0.042 Uiso 1 1 calc R U . . .
C29 C 0.48219(15) -0.07093(13) 0.19309(10) 0.0355(4) Uani 1 1 d . . . . .
H29 H 0.5012 -0.1200 0.1731 0.043 Uiso 1 1 calc R U . . .
C30 C 0.40739(15) -0.09322(12) 0.22790(10) 0.0346(4) Uani 1 1 d . . . . .
H30 H 0.3740 -0.1579 0.2303 0.042 Uiso 1 1 calc R U . . .
C31 C 0.38132(14) -0.02185(11) 0.25901(10) 0.0299(3) Uani 1 1 d . . . . .
H31 H 0.3306 -0.0372 0.2832 0.036 Uiso 1 1 calc R U . . .
P2 P 0.89998(3) 0.25034(3) 0.46931(2) 0.02205(7) Uani 1 1 d . . . . .
C32 C 0.89657(12) 0.34660(11) 0.53566(9) 0.0227(3) Uani 1 1 d . . . . .
C33 C 0.79316(13) 0.34604(11) 0.52373(10) 0.0274(3) Uani 1 1 d . . . . .
H33 H 0.7267 0.2952 0.4815 0.033 Uiso 1 1 calc R U . . .
C34 C 0.78760(15) 0.41929(12) 0.57324(11) 0.0328(4) Uani 1 1 d . . . . .
H34 H 0.7176 0.4200 0.5642 0.039 Uiso 1 1 calc R U . . .
C35 C 0.88483(16) 0.49181(12) 0.63632(11) 0.0348(4) Uani 1 1 d . . . . .
H35 H 0.8812 0.5420 0.6707 0.042 Uiso 1 1 calc R U . . .
C36 C 0.98655(15) 0.49164(12) 0.64943(10) 0.0339(4) Uani 1 1 d . . . . .
H36 H 1.0524 0.5411 0.6935 0.041 Uiso 1 1 calc R U . . .
C37 C 0.99390(13) 0.41982(12) 0.59896(9) 0.0279(3) Uani 1 1 d . . . . .
H37 H 1.0643 0.4207 0.6075 0.033 Uiso 1 1 calc R U . . .
C38 C 1.03985(13) 0.26305(12) 0.49785(9) 0.0268(3) Uani 1 1 d . . . . .
C39 C 1.10957(15) 0.34078(14) 0.48252(12) 0.0387(4) Uani 1 1 d . . . . .
H39 H 1.0820 0.3840 0.4562 0.046 Uiso 1 1 calc R U . . .
C40 C 1.21890(16) 0.35495(17) 0.50566(13) 0.0502(5) Uani 1 1 d . . . . .
H40 H 1.2662 0.4073 0.4944 0.060 Uiso 1 1 calc R U . . .
C41 C 1.25917(17) 0.29338(19) 0.54491(13) 0.0531(6) Uani 1 1 d . . . . .
H41 H 1.3349 0.3043 0.5621 0.064 Uiso 1 1 calc R U . . .
C42 C 1.19053(19) 0.21588(19) 0.55958(14) 0.0544(6) Uani 1 1 d . . . . .
H42 H 1.2191 0.1733 0.5863 0.065 Uiso 1 1 calc R U . . .
C43 C 1.07999(16) 0.19940(15) 0.53575(11) 0.0388(4) Uani 1 1 d . . . . .
H43 H 1.0325 0.1454 0.5452 0.047 Uiso 1 1 calc R U . . .
C44 C 0.84042(12) 0.25410(11) 0.36125(9) 0.0255(3) Uani 1 1 d . . . . .
C45 C 0.85046(15) 0.19300(13) 0.30269(10) 0.0340(4) Uani 1 1 d . . . . .
H45 H 0.8883 0.1524 0.3205 0.041 Uiso 1 1 calc R U . . .
C46 C 0.80464(16) 0.19204(15) 0.21824(11) 0.0414(4) Uani 1 1 d . . . . .
H46 H 0.8108 0.1504 0.1780 0.050 Uiso 1 1 calc R U . . .
C47 C 0.74968(15) 0.25170(15) 0.19228(11) 0.0416(5) Uani 1 1 d . . . . .
H47 H 0.7183 0.2507 0.1344 0.050 Uiso 1 1 calc R U . . .
C48 C 0.74064(15) 0.31200(15) 0.25014(11) 0.0374(4) Uani 1 1 d . . . . .
H48 H 0.7030 0.3526 0.2320 0.045 Uiso 1 1 calc R U . . .
C49 C 0.78609(13) 0.31431(12) 0.33529(10) 0.0296(3) Uani 1 1 d . . . . .
H49 H 0.7800 0.3565 0.3752 0.035 Uiso 1 1 calc R U . . .
C50 C 0.82209(13) 0.13697(11) 0.48146(9) 0.0242(3) Uani 1 1 d . . . . .
C51 C 0.73876(13) 0.06016(11) 0.41270(10) 0.0272(3) Uani 1 1 d . . . . .
H51 H 0.7184 0.0673 0.3570 0.033 Uiso 1 1 calc R U . . .
C52 C 0.68543(14) -0.02743(12) 0.42659(11) 0.0318(3) Uani 1 1 d . . . . .
H52 H 0.6282 -0.0805 0.3801 0.038 Uiso 1 1 calc R U . . .
C53 C 0.71540(14) -0.03750(12) 0.50757(11) 0.0328(4) Uani 1 1 d . . . . .
H53 H 0.6786 -0.0975 0.5164 0.039 Uiso 1 1 calc R U . . .
C54 C 0.79855(15) 0.03893(13) 0.57599(11) 0.0336(4) Uani 1 1 d . . . . .
H54 H 0.8188 0.0311 0.6315 0.040 Uiso 1 1 calc R U . . .
C55 C 0.85236(14) 0.12691(12) 0.56370(9) 0.0288(3) Uani 1 1 d . . . . .
H55 H 0.9091 0.1798 0.6105 0.035 Uiso 1 1 calc R U . . .
P3 P 0.91600(3) 0.29794(3) 1.01035(2) 0.01908(7) Uani 1 1 d . . . . .
C56 C 1.05973(12) 0.34545(11) 1.08452(9) 0.0227(3) Uani 1 1 d . . . . .
C57 C 1.08729(14) 0.32439(13) 1.16289(10) 0.0323(4) Uani 1 1 d . . . . .
H57 H 1.0319 0.2792 1.1734 0.039 Uiso 1 1 calc R U . . .
C58 C 1.19615(15) 0.36997(15) 1.22507(11) 0.0392(4) Uani 1 1 d . . . . .
H58 H 1.2154 0.3562 1.2785 0.047 Uiso 1 1 calc R U . . .
C59 C 1.27668(15) 0.43530(14) 1.20952(12) 0.0417(4) Uani 1 1 d . . . . .
H59 H 1.3508 0.4674 1.2527 0.050 Uiso 1 1 calc R U . . .
C60 C 1.25011(14) 0.45421(13) 1.13165(13) 0.0393(4) Uani 1 1 d . . . . .
H60 H 1.3064 0.4981 1.1211 0.047 Uiso 1 1 calc R U . . .
C61 C 1.14166(13) 0.40955(12) 1.06845(11) 0.0297(3) Uani 1 1 d . . . . .
H61 H 1.1236 0.4226 1.0148 0.036 Uiso 1 1 calc R U . . .
C62 C 0.90072(12) 0.30080(10) 0.90566(9) 0.0213(3) Uani 1 1 d . . . . .
C63 C 0.94377(14) 0.24785(13) 0.86925(10) 0.0305(3) Uani 1 1 d . . . . .
H63 H 0.9839 0.2148 0.9009 0.037 Uiso 1 1 calc R U . . .
C64 C 0.92778(16) 0.24359(14) 0.78700(11) 0.0373(4) Uani 1 1 d . . . . .
H64 H 0.9576 0.2081 0.7623 0.045 Uiso 1 1 calc R U . . .
C65 C 0.86839(15) 0.29085(13) 0.74033(10) 0.0337(4) Uani 1 1 d . . . . .
H65 H 0.8567 0.2868 0.6835 0.040 Uiso 1 1 calc R U . . .
C66 C 0.82616(14) 0.34378(12) 0.77610(10) 0.0297(3) Uani 1 1 d . . . . .
H66 H 0.7858 0.3763 0.7440 0.036 Uiso 1 1 calc R U . . .
C67 C 0.84271(13) 0.34944(11) 0.85902(9) 0.0251(3) Uani 1 1 d . . . . .
H67 H 0.8144 0.3865 0.8839 0.030 Uiso 1 1 calc R U . . .
C68 C 0.85139(12) 0.17387(10) 1.00996(9) 0.0216(3) Uani 1 1 d . . . . .
C69 C 0.90814(14) 0.11403(12) 1.01135(10) 0.0296(3) Uani 1 1 d . . . . .
H69 H 0.9812 0.1397 1.0155 0.036 Uiso 1 1 calc R U . . .
C70 C 0.85666(15) 0.01700(12) 1.00659(11) 0.0352(4) Uani 1 1 d . . . . .
H70 H 0.8942 -0.0244 1.0064 0.042 Uiso 1 1 calc R U . . .
C71 C 0.75080(15) -0.02055(12) 1.00214(10) 0.0325(4) Uani 1 1 d . . . . .
H71 H 0.7169 -0.0870 1.0002 0.039 Uiso 1 1 calc R U . . .
C72 C 0.69454(14) 0.03887(12) 1.00059(10) 0.0288(3) Uani 1 1 d . . . . .
H72 H 0.6219 0.0130 0.9972 0.035 Uiso 1 1 calc R U . . .
C73 C 0.74399(12) 0.13580(11) 1.00400(9) 0.0244(3) Uani 1 1 d . . . . .
H73 H 0.7051 0.1763 1.0023 0.029 Uiso 1 1 calc R U . . .
C74 C 0.85264(12) 0.37003(10) 1.04169(9) 0.0207(3) Uani 1 1 d . . . . .
C75 C 0.74118(12) 0.35099(11) 0.99214(10) 0.0252(3) Uani 1 1 d . . . . .
H75 H 0.6982 0.2993 0.9418 0.030 Uiso 1 1 calc R U . . .
C76 C 0.69399(13) 0.40787(12) 1.01690(11) 0.0301(3) Uani 1 1 d . . . . .
H76 H 0.6184 0.3952 0.9833 0.036 Uiso 1 1 calc R U . . .
C77 C 0.75618(14) 0.48317(12) 1.09040(11) 0.0314(3) Uani 1 1 d . . . . .
H77 H 0.7229 0.5217 1.1070 0.038 Uiso 1 1 calc R U . . .
C78 C 0.86617(14) 0.50247(12) 1.13955(10) 0.0290(3) Uani 1 1 d . . . . .
H78 H 0.9086 0.5545 1.1897 0.035 Uiso 1 1 calc R U . . .
C79 C 0.91504(13) 0.44597(11) 1.11579(9) 0.0243(3) Uani 1 1 d . . . . .
H79 H 0.9906 0.4590 1.1498 0.029 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C5 Bi1 C4 84.73(6) . .
C5 Bi1 C3A 81.86(12) . .
C4 Bi1 C3A 83.00(10) . .
C5 Bi1 C3B 88.3(4) . .
C4 Bi1 C3B 92.5(3) . .
C5 Bi1 C1 83.18(7) . .
C4 Bi1 C1 86.88(6) . .
C3A Bi1 C1 162.62(11) . .
C3B Bi1 C1 171.4(4) . .
C5 Bi1 C2 83.81(6) . .
C4 Bi1 C2 168.33(6) . .
C3A Bi1 C2 97.52(11) . .
C3B Bi1 C2 89.4(4) . .
C1 Bi1 C2 89.60(6) . .
N3A C3A Bi1 173.6(3) . .
N3B C3B Bi1 167.7(15) . .
C6 N6 C6 80(2) 2_667 .
C6 N6 N6 57(2) 2_667 2_667
C6 N6 N6 22.9(6) . 2_667
C7A C7A N7A 166(10) 2_666 2_666
C7A C7A N7A 7(6) 2_666 .
N7A C7A N7A 173(5) 2_666 .
C7A N7A C7A 7(5) 2_666 .
C7A N7A N7A 5(3) 2_666 2_666
C7A N7A N7A 2.4(18) . 2_666
N1 C1 Bi1 174.35(17) . .
N2 C2 Bi1 172.4(2) . .
N4 C4 Bi1 175.88(16) . .
N5 C5 Bi1 179.4(2) . .
N6 C6 N6 100(2) 2_667 .
N6 C6 C6 74(2) 2_667 2_667
N6 C6 C6 26.5(5) . 2_667
C20 P1 C26 109.47(7) . .
C20 P1 C8 110.62(7) . .
C26 P1 C8 108.84(7) . .
C20 P1 C14 111.58(7) . .
C26 P1 C14 108.22(7) . .
C8 P1 C14 108.03(7) . .
C9 C8 C13 119.04(15) . .
C9 C8 P1 120.48(12) . .
C13 C8 P1 120.45(12) . .
C8 C9 C10 119.75(17) . .
C8 C9 H9 120.1 . .
C10 C9 H9 120.1 . .
C11 C10 C9 120.67(18) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C12 120.00(17) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C11 C12 C13 120.53(18) . .
C11 C12 H12 119.7 . .
C13 C12 H12 119.7 . .
C12 C13 C8 119.99(17) . .
C12 C13 H13 120.0 . .
C8 C13 H13 120.0 . .
C19 C14 C15 119.65(14) . .
C19 C14 P1 119.78(11) . .
C15 C14 P1 120.35(12) . .
C16 C15 C14 119.68(15) . .
C16 C15 H15 120.2 . .
C14 C15 H15 120.2 . .
C17 C16 C15 120.39(15) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C16 C17 C18 120.30(15) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C18 C19 120.22(16) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C18 C19 C14 119.70(15) . .
C18 C19 H19 120.2 . .
C14 C19 H19 120.2 . .
C21 C20 C25 119.69(14) . .
C21 C20 P1 122.87(12) . .
C25 C20 P1 117.38(12) . .
C22 C21 C20 119.55(16) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C23 C22 C21 120.58(16) . .
C23 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
C24 C23 C22 120.10(16) . .
C24 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C23 C24 C25 120.26(16) . .
C23 C24 H24 119.9 . .
C25 C24 H24 119.9 . .
C24 C25 C20 119.77(16) . .
C24 C25 H25 120.1 . .
C20 C25 H25 120.1 . .
C27 C26 C31 119.75(14) . .
C27 C26 P1 120.03(12) . .
C31 C26 P1 120.01(12) . .
C28 C27 C26 119.63(16) . .
C28 C27 H27 120.2 . .
C26 C27 H27 120.2 . .
C29 C28 C27 120.41(16) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C28 C29 C30 120.12(16) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C31 C30 C29 120.30(16) . .
C31 C30 H30 119.8 . .
C29 C30 H30 119.8 . .
C30 C31 C26 119.77(15) . .
C30 C31 H31 120.1 . .
C26 C31 H31 120.1 . .
C38 P2 C50 109.50(8) . .
C38 P2 C44 107.94(7) . .
C50 P2 C44 110.53(7) . .
C38 P2 C32 111.12(7) . .
C50 P2 C32 108.17(7) . .
C44 P2 C32 109.58(7) . .
C37 C32 C33 119.95(14) . .
C37 C32 P2 121.39(12) . .
C33 C32 P2 118.65(11) . .
C34 C33 C32 120.13(15) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C33 C34 C35 119.59(16) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
C36 C35 C34 120.52(16) . .
C36 C35 H35 119.7 . .
C34 C35 H35 119.7 . .
C35 C36 C37 120.69(15) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C36 C37 C32 119.09(15) . .
C36 C37 H37 120.5 . .
C32 C37 H37 120.5 . .
C43 C38 C39 120.01(16) . .
C43 C38 P2 122.01(13) . .
C39 C38 P2 117.97(13) . .
C40 C39 C38 119.94(19) . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
C41 C40 C39 120.0(2) . .
C41 C40 H40 120.0 . .
C39 C40 H40 120.0 . .
C40 C41 C42 120.39(19) . .
C40 C41 H41 119.8 . .
C42 C41 H41 119.8 . .
C41 C42 C43 120.6(2) . .
C41 C42 H42 119.7 . .
C43 C42 H42 119.7 . .
C42 C43 C38 119.04(19) . .
C42 C43 H43 120.5 . .
C38 C43 H43 120.5 . .
C49 C44 C45 120.27(14) . .
C49 C44 P2 122.70(12) . .
C45 C44 P2 117.02(12) . .
C46 C45 C44 119.39(17) . .
C46 C45 H45 120.3 . .
C44 C45 H45 120.3 . .
C45 C46 C47 120.29(17) . .
C45 C46 H46 119.9 . .
C47 C46 H46 119.9 . .
C48 C47 C46 120.07(16) . .
C48 C47 H47 120.0 . .
C46 C47 H47 120.0 . .
C47 C48 C49 120.68(18) . .
C47 C48 H48 119.7 . .
C49 C48 H48 119.7 . .
C44 C49 C48 119.29(16) . .
C44 C49 H49 120.4 . .
C48 C49 H49 120.4 . .
C51 C50 C55 120.70(14) . .
C51 C50 P2 122.16(12) . .
C55 C50 P2 117.07(12) . .
C50 C51 C52 119.08(15) . .
C50 C51 H51 120.5 . .
C52 C51 H51 120.5 . .
C53 C52 C51 120.26(15) . .
C53 C52 H52 119.9 . .
C51 C52 H52 119.9 . .
C52 C53 C54 120.64(15) . .
C52 C53 H53 119.7 . .
C54 C53 H53 119.7 . .
C53 C54 C55 120.09(15) . .
C53 C54 H54 120.0 . .
C55 C54 H54 120.0 . .
C54 C55 C50 119.22(15) . .
C54 C55 H55 120.4 . .
C50 C55 H55 120.4 . .
C56 P3 C74 108.74(7) . .
C56 P3 C68 108.24(7) . .
C74 P3 C68 111.05(7) . .
C56 P3 C62 111.11(7) . .
C74 P3 C62 109.31(7) . .
C68 P3 C62 108.41(7) . .
C61 C56 C57 120.16(15) . .
C61 C56 P3 121.05(12) . .
C57 C56 P3 118.50(12) . .
C58 C57 C56 119.47(17) . .
C58 C57 H57 120.3 . .
C56 C57 H57 120.3 . .
C59 C58 C57 120.15(17) . .
C59 C58 H58 119.9 . .
C57 C58 H58 119.9 . .
C60 C59 C58 120.37(17) . .
C60 C59 H59 119.8 . .
C58 C59 H59 119.8 . .
C59 C60 C61 120.50(17) . .
C59 C60 H60 119.7 . .
C61 C60 H60 119.7 . .
C60 C61 C56 119.31(16) . .
C60 C61 H61 120.3 . .
C56 C61 H61 120.3 . .
C67 C62 C63 119.74(13) . .
C67 C62 P3 122.02(11) . .
C63 C62 P3 118.15(12) . .
C64 C63 C62 119.77(15) . .
C64 C63 H63 120.1 . .
C62 C63 H63 120.1 . .
C63 C64 C65 120.29(15) . .
C63 C64 H64 119.9 . .
C65 C64 H64 119.9 . .
C66 C65 C64 120.23(15) . .
C66 C65 H65 119.9 . .
C64 C65 H65 119.9 . .
C65 C66 C67 120.01(15) . .
C65 C66 H66 120.0 . .
C67 C66 H66 120.0 . .
C66 C67 C62 119.95(14) . .
C66 C67 H67 120.0 . .
C62 C67 H67 120.0 . .
C69 C68 C73 120.14(14) . .
C69 C68 P3 118.78(11) . .
C73 C68 P3 121.00(12) . .
C70 C69 C68 119.21(15) . .
C70 C69 H69 120.4 . .
C68 C69 H69 120.4 . .
C69 C70 C71 120.73(16) . .
C69 C70 H70 119.6 . .
C71 C70 H70 119.6 . .
C72 C71 C70 119.97(15) . .
C72 C71 H71 120.0 . .
C70 C71 H71 120.0 . .
C73 C72 C71 120.15(15) . .
C73 C72 H72 119.9 . .
C71 C72 H72 119.9 . .
C72 C73 C68 119.78(15) . .
C72 C73 H73 120.1 . .
C68 C73 H73 120.1 . .
C79 C74 C75 119.78(13) . .
C79 C74 P3 119.82(11) . .
C75 C74 P3 120.40(11) . .
C76 C75 C74 119.60(14) . .
C76 C75 H75 120.2 . .
C74 C75 H75 120.2 . .
C75 C76 C77 120.46(15) . .
C75 C76 H76 119.8 . .
C77 C76 H76 119.8 . .
C78 C77 C76 120.29(15) . .
C78 C77 H77 119.9 . .
C76 C77 H77 119.9 . .
C77 C78 C79 120.11(15) . .
C77 C78 H78 119.9 . .
C79 C78 H78 119.9 . .
C78 C79 C74 119.77(14) . .
C78 C79 H79 120.1 . .
C74 C79 H79 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 C5 2.3123(19) .
Bi1 C4 2.484(2) .
Bi1 C3A 2.505(6) .
Bi1 C3B 2.51(2) .
Bi1 C1 2.551(2) .
Bi1 C2 2.605(3) .
N1 C1 1.111(3) .
N2 C2 1.097(3) .
C3A N3A 1.127(6) .
C3B N3B 1.05(2) .
N4 C4 1.137(3) .
N5 C5 1.134(3) .
N6 C6 0.496(9) 2_667
N6 C6 1.066(6) .
N6 N6 1.253(16) 2_667
C7A C7A 0.541(17) 2_666
C7A N7A 0.568(19) 2_666
C7A N7A 1.100(7) .
N7A C7A 0.568(19) 2_666
N7A N7A 1.665(19) 2_666
C6 N6 0.496(9) 2_667
C6 C6 1.09(2) 2_667
P1 C20 1.7916(15) .
P1 C26 1.7939(15) .
P1 C8 1.8019(15) .
P1 C14 1.8027(15) .
C8 C9 1.389(2) .
C8 C13 1.393(2) .
C9 C10 1.391(3) .
C9 H9 0.9500 .
C10 C11 1.365(3) .
C10 H10 0.9500 .
C11 C12 1.370(3) .
C11 H11 0.9500 .
C12 C13 1.385(2) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C19 1.399(2) .
C14 C15 1.400(2) .
C15 C16 1.388(2) .
C15 H15 0.9500 .
C16 C17 1.381(3) .
C16 H16 0.9500 .
C17 C18 1.383(3) .
C17 H17 0.9500 .
C18 C19 1.390(2) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.391(2) .
C20 C25 1.400(2) .
C21 C22 1.386(2) .
C21 H21 0.9500 .
C22 C23 1.380(3) .
C22 H22 0.9500 .
C23 C24 1.378(3) .
C23 H23 0.9500 .
C24 C25 1.384(2) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C26 C27 1.396(2) .
C26 C31 1.403(2) .
C27 C28 1.387(2) .
C27 H27 0.9500 .
C28 C29 1.381(3) .
C28 H28 0.9500 .
C29 C30 1.388(3) .
C29 H29 0.9500 .
C30 C31 1.379(2) .
C30 H30 0.9500 .
C31 H31 0.9500 .
P2 C38 1.7922(16) .
P2 C50 1.7935(15) .
P2 C44 1.7978(14) .
P2 C32 1.7978(15) .
C32 C37 1.393(2) .
C32 C33 1.401(2) .
C33 C34 1.381(2) .
C33 H33 0.9500 .
C34 C35 1.387(2) .
C34 H34 0.9500 .
C35 C36 1.376(3) .
C35 H35 0.9500 .
C36 C37 1.390(2) .
C36 H36 0.9500 .
C37 H37 0.9500 .
C38 C43 1.389(2) .
C38 C39 1.393(2) .
C39 C40 1.381(3) .
C39 H39 0.9500 .
C40 C41 1.372(3) .
C40 H40 0.9500 .
C41 C42 1.376(3) .
C41 H41 0.9500 .
C42 C43 1.388(3) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C44 C49 1.391(2) .
C44 C45 1.396(2) .
C45 C46 1.387(2) .
C45 H45 0.9500 .
C46 C47 1.390(3) .
C46 H46 0.9500 .
C47 C48 1.371(3) .
C47 H47 0.9500 .
C48 C49 1.393(2) .
C48 H48 0.9500 .
C49 H49 0.9500 .
C50 C51 1.389(2) .
C50 C55 1.400(2) .
C51 C52 1.392(2) .
C51 H51 0.9500 .
C52 C53 1.379(2) .
C52 H52 0.9500 .
C53 C54 1.383(2) .
C53 H53 0.9500 .
C54 C55 1.385(2) .
C54 H54 0.9500 .
C55 H55 0.9500 .
P3 C56 1.7923(15) .
P3 C74 1.7931(14) .
P3 C68 1.7943(15) .
P3 C62 1.7951(14) .
C56 C61 1.392(2) .
C56 C57 1.400(2) .
C57 C58 1.387(2) .
C57 H57 0.9500 .
C58 C59 1.382(3) .
C58 H58 0.9500 .
C59 C60 1.379(3) .
C59 H59 0.9500 .
C60 C61 1.389(2) .
C60 H60 0.9500 .
C61 H61 0.9500 .
C62 C67 1.391(2) .
C62 C63 1.396(2) .
C63 C64 1.381(2) .
C63 H63 0.9500 .
C64 C65 1.385(3) .
C64 H64 0.9500 .
C65 C66 1.380(2) .
C65 H65 0.9500 .
C66 C67 1.388(2) .
C66 H66 0.9500 .
C67 H67 0.9500 .
C68 C69 1.397(2) .
C68 C73 1.398(2) .
C69 C70 1.383(2) .
C69 H69 0.9500 .
C70 C71 1.387(2) .
C70 H70 0.9500 .
C71 C72 1.386(2) .
C71 H71 0.9500 .
C72 C73 1.384(2) .
C72 H72 0.9500 .
C73 H73 0.9500 .
C74 C79 1.397(2) .
C74 C75 1.399(2) .
C75 C76 1.382(2) .
C75 H75 0.9500 .
C76 C77 1.385(2) .
C76 H76 0.9500 .
C77 C78 1.380(2) .
C77 H77 0.9500 .
C78 C79 1.390(2) .
C78 H78 0.9500 .
C79 H79 0.9500 .
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_4
C7A C7A N7A N7A 0.1(9) 2_666 2_666
C6 N6 C6 N6 0.003(11) 2_667 2_667
N6 N6 C6 C6 -0.003(12) 2_667 2_667
C20 P1 C8 C9 100.83(15) . .
C26 P1 C8 C9 -19.48(16) . .
C14 P1 C8 C9 -136.78(15) . .
C20 P1 C8 C13 -81.11(15) . .
C26 P1 C8 C13 158.58(14) . .
C14 P1 C8 C13 41.28(16) . .
C13 C8 C9 C10 -1.3(3) . .
P1 C8 C9 C10 176.76(16) . .
C8 C9 C10 C11 1.6(3) . .
C9 C10 C11 C12 -0.9(3) . .
C10 C11 C12 C13 0.0(3) . .
C11 C12 C13 C8 0.2(3) . .
C9 C8 C13 C12 0.5(3) . .
P1 C8 C13 C12 -177.62(15) . .
C20 P1 C14 C19 -131.07(12) . .
C26 P1 C14 C19 -10.57(14) . .
C8 P1 C14 C19 107.12(13) . .
C20 P1 C14 C15 54.47(14) . .
C26 P1 C14 C15 174.97(12) . .
C8 P1 C14 C15 -67.34(13) . .
C19 C14 C15 C16 -2.3(2) . .
P1 C14 C15 C16 172.15(12) . .
C14 C15 C16 C17 0.5(2) . .
C15 C16 C17 C18 2.0(2) . .
C16 C17 C18 C19 -2.6(3) . .
C17 C18 C19 C14 0.7(2) . .
C15 C14 C19 C18 1.7(2) . .
P1 C14 C19 C18 -172.78(12) . .
C26 P1 C20 C21 -114.83(14) . .
C8 P1 C20 C21 125.24(14) . .
C14 P1 C20 C21 4.94(16) . .
C26 P1 C20 C25 62.29(14) . .
C8 P1 C20 C25 -57.64(14) . .
C14 P1 C20 C25 -177.94(12) . .
C25 C20 C21 C22 -0.5(2) . .
P1 C20 C21 C22 176.55(14) . .
C20 C21 C22 C23 -1.5(3) . .
C21 C22 C23 C24 2.1(3) . .
C22 C23 C24 C25 -0.7(3) . .
C23 C24 C25 C20 -1.3(3) . .
C21 C20 C25 C24 1.9(3) . .
P1 C20 C25 C24 -175.33(14) . .
C20 P1 C26 C27 17.78(15) . .
C8 P1 C26 C27 138.79(13) . .
C14 P1 C26 C27 -104.03(13) . .
C20 P1 C26 C31 -167.59(13) . .
C8 P1 C26 C31 -46.58(15) . .
C14 P1 C26 C31 70.60(14) . .
C31 C26 C27 C28 -0.4(2) . .
P1 C26 C27 C28 174.24(13) . .
C26 C27 C28 C29 -0.6(3) . .
C27 C28 C29 C30 1.6(3) . .
C28 C29 C30 C31 -1.6(3) . .
C29 C30 C31 C26 0.6(2) . .
C27 C26 C31 C30 0.4(2) . .
P1 C26 C31 C30 -174.22(13) . .
C38 P2 C32 C37 0.89(15) . .
C50 P2 C32 C37 121.12(13) . .
C44 P2 C32 C37 -118.32(13) . .
C38 P2 C32 C33 -177.96(11) . .
C50 P2 C32 C33 -57.72(13) . .
C44 P2 C32 C33 62.84(13) . .
C37 C32 C33 C34 1.6(2) . .
P2 C32 C33 C34 -179.55(12) . .
C32 C33 C34 C35 -1.8(2) . .
C33 C34 C35 C36 0.5(3) . .
C34 C35 C36 C37 1.0(3) . .
C35 C36 C37 C32 -1.2(2) . .
C33 C32 C37 C36 -0.1(2) . .
P2 C32 C37 C36 -178.91(12) . .
C50 P2 C38 C43 -9.22(15) . .
C44 P2 C38 C43 -129.60(14) . .
C32 P2 C38 C43 110.22(14) . .
C50 P2 C38 C39 172.09(13) . .
C44 P2 C38 C39 51.71(15) . .
C32 P2 C38 C39 -68.47(14) . .
C43 C38 C39 C40 -0.5(3) . .
P2 C38 C39 C40 178.20(14) . .
C38 C39 C40 C41 -1.0(3) . .
C39 C40 C41 C42 1.6(3) . .
C40 C41 C42 C43 -0.7(3) . .
C41 C42 C43 C38 -0.9(3) . .
C39 C38 C43 C42 1.5(3) . .
P2 C38 C43 C42 -177.21(14) . .
C38 P2 C44 C49 -129.98(13) . .
C50 P2 C44 C49 110.29(14) . .
C32 P2 C44 C49 -8.83(15) . .
C38 P2 C44 C45 50.16(14) . .
C50 P2 C44 C45 -69.58(14) . .
C32 P2 C44 C45 171.30(12) . .
C49 C44 C45 C46 -0.8(2) . .
P2 C44 C45 C46 179.12(14) . .
C44 C45 C46 C47 0.3(3) . .
C45 C46 C47 C48 0.1(3) . .
C46 C47 C48 C49 0.0(3) . .
C45 C44 C49 C48 0.8(2) . .
P2 C44 C49 C48 -179.04(12) . .
C47 C48 C49 C44 -0.4(3) . .
C38 P2 C50 C51 -109.95(14) . .
C44 P2 C50 C51 8.84(16) . .
C32 P2 C50 C51 128.81(13) . .
C38 P2 C50 C55 67.00(14) . .
C44 P2 C50 C55 -174.21(12) . .
C32 P2 C50 C55 -54.24(14) . .
C55 C50 C51 C52 0.0(2) . .
P2 C50 C51 C52 176.82(12) . .
C50 C51 C52 C53 -0.2(2) . .
C51 C52 C53 C54 0.0(3) . .
C52 C53 C54 C55 0.3(3) . .
C53 C54 C55 C50 -0.5(3) . .
C51 C50 C55 C54 0.3(2) . .
P2 C50 C55 C54 -176.65(13) . .
C74 P3 C56 C61 -96.56(13) . .
C68 P3 C56 C61 142.70(13) . .
C62 P3 C56 C61 23.79(15) . .
C74 P3 C56 C57 77.24(14) . .
C68 P3 C56 C57 -43.50(14) . .
C62 P3 C56 C57 -162.41(12) . .
C61 C56 C57 C58 1.8(2) . .
P3 C56 C57 C58 -172.04(13) . .
C56 C57 C58 C59 -0.3(3) . .
C57 C58 C59 C60 -1.4(3) . .
C58 C59 C60 C61 1.4(3) . .
C59 C60 C61 C56 0.1(3) . .
C57 C56 C61 C60 -1.7(2) . .
P3 C56 C61 C60 171.97(13) . .
C56 P3 C62 C67 -122.80(13) . .
C74 P3 C62 C67 -2.79(15) . .
C68 P3 C62 C67 118.39(13) . .
C56 P3 C62 C63 60.70(14) . .
C74 P3 C62 C63 -179.29(12) . .
C68 P3 C62 C63 -58.12(14) . .
C67 C62 C63 C64 -0.4(2) . .
P3 C62 C63 C64 176.14(14) . .
C62 C63 C64 C65 -0.6(3) . .
C63 C64 C65 C66 1.0(3) . .
C64 C65 C66 C67 -0.3(3) . .
C65 C66 C67 C62 -0.8(2) . .
C63 C62 C67 C66 1.1(2) . .
P3 C62 C67 C66 -175.32(12) . .
C56 P3 C68 C69 -42.40(13) . .
C74 P3 C68 C69 -161.69(12) . .
C62 P3 C68 C69 78.21(13) . .
C56 P3 C68 C73 140.85(12) . .
C74 P3 C68 C73 21.56(14) . .
C62 P3 C68 C73 -98.54(12) . .
C73 C68 C69 C70 0.1(2) . .
P3 C68 C69 C70 -176.64(13) . .
C68 C69 C70 C71 -1.3(3) . .
C69 C70 C71 C72 1.4(3) . .
C70 C71 C72 C73 -0.4(2) . .
C71 C72 C73 C68 -0.7(2) . .
C69 C68 C73 C72 0.8(2) . .
P3 C68 C73 C72 177.54(11) . .
C56 P3 C74 C79 -2.56(14) . .
C68 P3 C74 C79 116.43(12) . .
C62 P3 C74 C79 -124.01(12) . .
C56 P3 C74 C75 177.13(12) . .
C68 P3 C74 C75 -63.88(14) . .
C62 P3 C74 C75 55.68(14) . .
C79 C74 C75 C76 0.3(2) . .
P3 C74 C75 C76 -179.43(12) . .
C74 C75 C76 C77 -0.2(2) . .
C75 C76 C77 C78 0.3(3) . .
C76 C77 C78 C79 -0.4(3) . .
C77 C78 C79 C74 0.4(2) . .
C75 C74 C79 C78 -0.4(2) . .
P3 C74 C79 C78 179.32(12) . .
