#------------------------------------------------------------------------------
#$Date: 2015-08-31 10:42:27 +0300 (Mon, 31 Aug 2015) $
#$Revision: 153814 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/76/7117694.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_7117694
loop_
_publ_author_name
'C. Hering-Junghans'
'A. Schulz'
'A. Villinger'
_publ_section_title
;
 A neutral low-coordinate heterocyclic bismuth-in species
;
_journal_name_full               Chem.Commun.
_journal_page_first              13834
_journal_paper_doi               10.1039/C5cc04516A
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C36 H33 Cl4 N Sb2, 2(C6 H5 F)'
_chemical_formula_sum            'C48 H43 Cl4 F2 N Sb2'
_chemical_formula_weight         1057.13
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-05-31 deposited with the CCDC.
2015-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.2400(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.2248(8)
_cell_length_b                   10.8555(5)
_cell_length_c                   26.4376(12)
_cell_measurement_reflns_used    5191
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.74
_cell_measurement_theta_min      2.40
_cell_volume                     4470.6(4)
_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 0.998
_diffrn_measured_fraction_theta_max 0.999
_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  0.0581
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            85218
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.500
_diffrn_reflns_theta_min         2.040
_exptl_absorpt_coefficient_mu    1.490
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_correction_T_min  0.6234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_description       rod
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.747
_refine_diff_density_min         -0.684
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         16169
_refine_ls_number_restraints     164
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0355P)²+3.5296P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0952
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                11230
_reflns_number_total             16169
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc04516a2.cif
_cod_data_source_block           ch019_3_tBuArN(SbCl2)2
_cod_database_code               7117694
_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   0.523
_shelx_estimated_absorpt_t_max   0.890
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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'
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
Sb1 Sb 0.63795(2) 0.09129(2) 0.72009(2) 0.02238(4) Uani 1 1 d . . . . .
Sb2 Sb 0.60998(2) 0.40616(2) 0.71665(2) 0.02407(5) Uani 1 1 d . . . . .
Cl1 Cl 0.63651(5) -0.01302(6) 0.64105(3) 0.03546(16) Uani 1 1 d . . . . .
Cl2 Cl 0.76876(4) 0.20669(7) 0.72554(3) 0.03618(15) Uani 1 1 d . . . . .
Cl3 Cl 0.47185(5) 0.49138(6) 0.70739(3) 0.03723(16) Uani 1 1 d . . . . .
Cl4 Cl 0.62609(5) 0.32166(7) 0.80358(3) 0.03767(16) Uani 1 1 d . . . . .
N1 N 0.56856(13) 0.23871(16) 0.68452(8) 0.0197(4) Uani 1 1 d . . . . .
C1 C 0.49369(15) 0.22778(19) 0.64047(9) 0.0175(4) Uani 1 1 d . . . . .
C2 C 0.49944(16) 0.25182(19) 0.58907(9) 0.0185(4) Uani 1 1 d . . . . .
C3 C 0.42504(16) 0.24773(19) 0.54708(9) 0.0209(5) Uani 1 1 d . . . . .
H3 H 0.4287 0.2668 0.5127 0.025 Uiso 1 1 calc R U . . .
C4 C 0.34531(15) 0.2165(2) 0.55393(9) 0.0207(4) Uani 1 1 d . . . . .
C5 C 0.34217(16) 0.1897(2) 0.60481(9) 0.0215(5) Uani 1 1 d . . . . .
H5 H 0.2888 0.1663 0.6101 0.026 Uiso 1 1 calc R U . . .
C6 C 0.41424(16) 0.19572(19) 0.64833(9) 0.0195(4) Uani 1 1 d . . . . .
C7 C 0.58668(15) 0.2832(2) 0.58129(9) 0.0185(4) Uani 1 1 d . . . . .
H7 H 0.6282 0.2244 0.6042 0.022 Uiso 1 1 calc R U . . .
C8 C 0.59333(16) 0.2612(2) 0.52515(9) 0.0200(4) Uani 1 1 d . . . . .
C9 C 0.58066(17) 0.1429(2) 0.50385(10) 0.0263(5) Uani 1 1 d . . . . .
H9 H 0.5620 0.0789 0.5226 0.032 Uiso 1 1 calc R U . . .
C10 C 0.5950(2) 0.1178(2) 0.45557(11) 0.0328(6) Uani 1 1 d . . . . .
H10 H 0.5855 0.0371 0.4413 0.039 Uiso 1 1 calc R U . . .
C11 C 0.6232(2) 0.2099(3) 0.42795(11) 0.0341(6) Uani 1 1 d . . . . .
H11 H 0.6348 0.1918 0.3954 0.041 Uiso 1 1 calc R U . . .
C12 C 0.63424(19) 0.3277(3) 0.44821(10) 0.0321(6) Uani 1 1 d . . . . .
H12 H 0.6525 0.3916 0.4293 0.039 Uiso 1 1 calc R U . . .
C13 C 0.61872(17) 0.3534(2) 0.49625(10) 0.0263(5) Uani 1 1 d . . . . .
H13 H 0.6256 0.4353 0.5095 0.032 Uiso 1 1 calc R U . . .
C14 C 0.61779(16) 0.41106(19) 0.60130(9) 0.0201(4) Uani 1 1 d . . . . .
C15 C 0.70575(17) 0.4341(2) 0.62094(9) 0.0238(5) Uani 1 1 d . . . . .
H15 H 0.7456 0.3688 0.6228 0.029 Uiso 1 1 calc R U . . .
C16 C 0.73548(18) 0.5510(2) 0.63767(10) 0.0269(5) Uani 1 1 d . . . . .
H16 H 0.7954 0.5657 0.6507 0.032 Uiso 1 1 calc R U . . .
C17 C 0.67789(19) 0.6467(2) 0.63547(10) 0.0306(6) Uani 1 1 d . . . . .
H17 H 0.6984 0.7264 0.6476 0.037 Uiso 1 1 calc R U . . .
C18 C 0.59121(19) 0.6261(2) 0.61572(10) 0.0301(6) Uani 1 1 d . . . . .
H18 H 0.5519 0.6921 0.6136 0.036 Uiso 1 1 calc R U . . .
C19 C 0.56069(17) 0.5082(2) 0.59874(10) 0.0246(5) Uani 1 1 d . . . . .
H19 H 0.5007 0.4944 0.5854 0.030 Uiso 1 1 calc R U . . .
C20 C 0.26511(16) 0.2154(2) 0.50661(10) 0.0257(5) Uani 1 1 d . . . . .
C21 C 0.2814(2) 0.1429(3) 0.46072(11) 0.0349(6) Uani 1 1 d . . . . .
H21A H 0.3315 0.1773 0.4518 0.052 Uiso 1 1 calc R U . . .
H21B H 0.2310 0.1488 0.4300 0.052 Uiso 1 1 calc R U . . .
H21C H 0.2923 0.0563 0.4709 0.052 Uiso 1 1 calc R U . . .
C22 C 0.2432(2) 0.3496(3) 0.48900(12) 0.0391(7) Uani 1 1 d . . . . .
H22A H 0.2317 0.3965 0.5180 0.059 Uiso 1 1 calc R U . . .
H22B H 0.1923 0.3510 0.4585 0.059 Uiso 1 1 calc R U . . .
H22C H 0.2918 0.3867 0.4793 0.059 Uiso 1 1 calc R U . . .
C23 C 0.18824(19) 0.1581(3) 0.52013(12) 0.0442(8) Uani 1 1 d . . . . .
H23A H 0.2014 0.0726 0.5313 0.066 Uiso 1 1 calc R U . . .
H23B H 0.1383 0.1602 0.4890 0.066 Uiso 1 1 calc R U . . .
H23C H 0.1755 0.2048 0.5488 0.066 Uiso 1 1 calc R U . . .
C24 C 0.40740(16) 0.1705(2) 0.70391(9) 0.0213(5) Uani 1 1 d . . . . .
H24 H 0.4363 0.2411 0.7262 0.026 Uiso 1 1 calc R U . . .
C25 C 0.45495(16) 0.0544(2) 0.72869(9) 0.0227(5) Uani 1 1 d . . . . .
C26 C 0.48420(18) 0.0457(3) 0.78360(10) 0.0304(6) Uani 1 1 d . . . . .
H26 H 0.4759 0.1126 0.8048 0.037 Uiso 1 1 calc R U . . .
C27 C 0.52536(19) -0.0604(3) 0.80721(12) 0.0368(7) Uani 1 1 d . . . . .
H27 H 0.5450 -0.0655 0.8445 0.044 Uiso 1 1 calc R U . . .
C28 C 0.53808(18) -0.1586(3) 0.77693(13) 0.0374(7) Uani 1 1 d . . . . .
H28 H 0.5668 -0.2306 0.7933 0.045 Uiso 1 1 calc R U . . .
C29 C 0.50887(18) -0.1515(2) 0.72291(12) 0.0340(6) Uani 1 1 d . . . . .
H29 H 0.5166 -0.2193 0.7019 0.041 Uiso 1 1 calc R U . . .
C30 C 0.46805(17) -0.0452(2) 0.69886(11) 0.0262(5) Uani 1 1 d . . . . .
H30 H 0.4489 -0.0407 0.6615 0.031 Uiso 1 1 calc R U . . .
C31 C 0.31524(17) 0.1689(2) 0.70709(9) 0.0240(5) Uani 1 1 d . . . . .
C32 C 0.2760(2) 0.2783(3) 0.71372(14) 0.0407(7) Uani 1 1 d . . . . .
H32 H 0.3075 0.3531 0.7172 0.049 Uiso 1 1 calc R U . . .
C33 C 0.1912(2) 0.2803(3) 0.71540(16) 0.0517(9) Uani 1 1 d . . . . .
H33 H 0.1650 0.3562 0.7199 0.062 Uiso 1 1 calc R U . . .
C34 C 0.1452(2) 0.1725(3) 0.71058(14) 0.0462(8) Uani 1 1 d . . . . .
H34 H 0.0874 0.1735 0.7120 0.055 Uiso 1 1 calc R U . . .
C35 C 0.1834(2) 0.0634(3) 0.70372(15) 0.0475(8) Uani 1 1 d . . . . .
H35 H 0.1518 -0.0112 0.7002 0.057 Uiso 1 1 calc R U . . .
C36 C 0.26777(19) 0.0618(3) 0.70196(13) 0.0377(7) Uani 1 1 d . . . . .
H36 H 0.2935 -0.0143 0.6972 0.045 Uiso 1 1 calc R U . . .
C37A C 0.0705(5) 0.9318(8) 0.3933(3) 0.058(2) Uiso 0.357(3) 1 d DG . P A 1
H37A H 0.0537 0.9803 0.3622 0.069 Uiso 0.357(3) 1 calc R U P A 1
C38A C 0.1448(5) 0.8611(9) 0.4037(4) 0.055(2) Uiso 0.357(3) 1 d DG . P A 1
H38A H 0.1788 0.8613 0.3797 0.066 Uiso 0.357(3) 1 calc R U P A 1
C39A C 0.1693(5) 0.7902(8) 0.4492(4) 0.062(3) Uiso 0.357(3) 1 d DG . P A 1
H39A H 0.2201 0.7419 0.4564 0.075 Uiso 0.357(3) 1 calc R U P A 1
C40A C 0.1196(5) 0.7900(6) 0.4844(3) 0.0458(18) Uiso 0.357(3) 1 d DG . P A 1
H40A H 0.1364 0.7415 0.5155 0.055 Uiso 0.357(3) 1 calc R U P A 1
C41A C 0.0453(4) 0.8606(6) 0.4739(3) 0.0455(17) Uiso 0.357(3) 1 d DG . P A 1
H41A H 0.0113 0.8605 0.4979 0.055 Uiso 0.357(3) 1 calc R U P A 1
C42A C 0.0207(4) 0.9315(5) 0.4284(3) 0.0549(17) Uiso 0.357(3) 1 d DG . P A 1
F1A F -0.0495(5) 0.9970(8) 0.4198(4) 0.113(2) Uiso 0.357(3) 1 d D . P A 1
C37B C 0.0413(8) 0.8240(13) 0.4579(5) 0.058(2) Uiso 0.237(3) 1 d DG . P B 2
H37B H 0.0087 0.7967 0.4805 0.069 Uiso 0.237(3) 1 calc R U P B 2
C38B C 0.1223(9) 0.7748(13) 0.4628(5) 0.055(2) Uiso 0.237(3) 1 d DG . P B 2
H38B H 0.1450 0.7139 0.4888 0.066 Uiso 0.237(3) 1 calc R U P B 2
C39B C 0.1701(7) 0.8147(14) 0.4297(6) 0.062(3) Uiso 0.237(3) 1 d DG . P B 2
H39B H 0.2254 0.7811 0.4331 0.075 Uiso 0.237(3) 1 calc R U P B 2
C40B C 0.1368(8) 0.9037(14) 0.3917(5) 0.0458(18) Uiso 0.237(3) 1 d DG . P B 2
H40B H 0.1695 0.9310 0.3691 0.055 Uiso 0.237(3) 1 calc R U P B 2
C41B C 0.0559(8) 0.9529(10) 0.3868(4) 0.0455(17) Uiso 0.237(3) 1 d DG . P B 2
H41B H 0.0332 1.0137 0.3608 0.055 Uiso 0.237(3) 1 calc R U P B 2
C42B C 0.0081(6) 0.9130(10) 0.4199(4) 0.0549(17) Uiso 0.237(3) 1 d DG . P B 2
F1B F -0.0671(8) 0.9643(14) 0.4123(6) 0.113(2) Uiso 0.237(3) 1 d D . P B 2
C37C C 0.0044(6) 0.8889(11) 0.4265(5) 0.058(2) Uiso 0.258(3) 1 d DG . P C 3
H37C H -0.0542 0.9100 0.4210 0.069 Uiso 0.258(3) 1 calc R U P C 3
C38C C 0.0463(8) 0.8171(13) 0.4696(5) 0.055(2) Uiso 0.258(3) 1 d DG . P C 3
H38C H 0.0163 0.7893 0.4935 0.066 Uiso 0.258(3) 1 calc R U P C 3
C39C C 0.1321(8) 0.7861(12) 0.4776(4) 0.062(3) Uiso 0.258(3) 1 d DG . P C 3
H39C H 0.1608 0.7371 0.5070 0.075 Uiso 0.258(3) 1 calc R U P C 3
C40C C 0.1761(6) 0.8269(13) 0.4425(5) 0.0458(18) Uiso 0.258(3) 1 d DG . P C 3
H40C H 0.2347 0.8057 0.4480 0.055 Uiso 0.258(3) 1 calc R U P C 3
C41C C 0.1342(7) 0.8986(12) 0.3995(4) 0.0455(17) Uiso 0.258(3) 1 d DG . P C 3
H41C H 0.1642 0.9264 0.3755 0.055 Uiso 0.258(3) 1 calc R U P C 3
C42C C 0.0483(7) 0.9296(8) 0.3915(3) 0.0549(17) Uiso 0.258(3) 1 d DG . P C 3
F1C F 0.0142(8) 0.9966(11) 0.3507(4) 0.113(2) Uiso 0.258(3) 1 d D . P C 3
C37D C 0.0039(9) 0.8434(15) 0.4060(6) 0.058(2) Uiso 0.147(3) 1 d DG . P D 4
H37D H -0.0552 0.8623 0.3918 0.069 Uiso 0.147(3) 1 calc R U P D 4
C38D C 0.0643(13) 0.8957(17) 0.3841(7) 0.055(2) Uiso 0.147(3) 1 d DG . P D 4
H38D H 0.0465 0.9504 0.3551 0.066 Uiso 0.147(3) 1 calc R U P D 4
C39D C 0.1509(12) 0.8680(18) 0.4049(9) 0.062(3) Uiso 0.147(3) 1 d DG . P D 4
H39D H 0.1922 0.9037 0.3900 0.075 Uiso 0.147(3) 1 calc R U P D 4
C40D C 0.1770(8) 0.7879(19) 0.4474(9) 0.0458(18) Uiso 0.147(3) 1 d DG . P D 4
H40D H 0.2361 0.7689 0.4615 0.055 Uiso 0.147(3) 1 calc R U P D 4
C41D C 0.1166(9) 0.7356(14) 0.4692(7) 0.0455(17) Uiso 0.147(3) 1 d DG . P D 4
H41D H 0.1344 0.6809 0.4982 0.055 Uiso 0.147(3) 1 calc R U P D 4
C42D C 0.0300(9) 0.7633(11) 0.4485(5) 0.0549(17) Uiso 0.147(3) 1 d DG . P D 4
F1D F -0.0219(12) 0.7110(17) 0.4709(7) 0.113(2) Uiso 0.147(3) 1 d D . P D 4
C43A C 0.0443(4) 0.5978(7) 0.5791(4) 0.093(3) Uiso 0.528(3) 1 d DG . P E 1
C44A C 0.0969(5) 0.4949(5) 0.5840(3) 0.083(3) Uiso 0.528(3) 1 d DG . P E 1
H44A H 0.0747 0.4204 0.5666 0.100 Uiso 0.528(3) 1 calc R U P E 1
C45A C 0.1819(5) 0.5010(7) 0.6143(3) 0.074(2) Uiso 0.528(3) 1 d DG . P E 1
H45A H 0.2179 0.4306 0.6176 0.089 Uiso 0.528(3) 1 calc R U P E 1
C46A C 0.2144(4) 0.6100(10) 0.6397(3) 0.096(3) Uiso 0.528(3) 1 d DG . P E 1
H46A H 0.2725 0.6142 0.6604 0.116 Uiso 0.528(3) 1 calc R U P E 1
C47A C 0.1618(6) 0.7130(7) 0.6348(4) 0.113(3) Uiso 0.528(3) 1 d DG . P E 1
H47A H 0.1840 0.7875 0.6522 0.135 Uiso 0.528(3) 1 calc R U P E 1
C48A C 0.0767(6) 0.7069(5) 0.6045(4) 0.083(2) Uiso 0.528(3) 1 d DG . P E 1
H48A H 0.0408 0.7772 0.6012 0.099 Uiso 0.528(3) 1 calc R U P E 1
F2A F -0.0203(8) 0.5909(10) 0.5586(5) 0.222(4) Uiso 0.528(3) 1 d D . P E 1
C43B C 0.0347(8) 0.6928(12) 0.5956(5) 0.093(3) Uiso 0.247(3) 1 d DG . P F 2
C44B C 0.0421(10) 0.5713(13) 0.5809(7) 0.083(3) Uiso 0.247(3) 1 d DG . P F 2
H44B H -0.0068 0.5289 0.5600 0.100 Uiso 0.247(3) 1 calc R U P F 2
C45B C 0.1211(11) 0.5120(12) 0.5968(8) 0.074(2) Uiso 0.247(3) 1 d DG . P F 2
H45B H 0.1262 0.4290 0.5867 0.089 Uiso 0.247(3) 1 calc R U P F 2
C46B C 0.1927(9) 0.5742(16) 0.6273(8) 0.096(3) Uiso 0.247(3) 1 d DG . P F 2
H46B H 0.2466 0.5336 0.6382 0.116 Uiso 0.247(3) 1 calc R U P F 2
C47B C 0.1852(9) 0.6957(16) 0.6421(8) 0.113(3) Uiso 0.247(3) 1 d DG . P F 2
H47B H 0.2341 0.7382 0.6630 0.135 Uiso 0.247(3) 1 calc R U P F 2
C48B C 0.1063(10) 0.7550(11) 0.6262(7) 0.083(2) Uiso 0.247(3) 1 d DG . P F 2
H48B H 0.1012 0.8381 0.6363 0.099 Uiso 0.247(3) 1 calc R U P F 2
F2B F -0.0207(12) 0.7357(17) 0.5848(8) 0.222(4) Uiso 0.247(3) 1 d D . P F 2
C43C C 0.2038(10) 0.6646(16) 0.6381(6) 0.093(3) Uiso 0.225(3) 1 d DG . P G 3
C44C C 0.1230(12) 0.7175(12) 0.6188(8) 0.083(3) Uiso 0.225(3) 1 d DG . P G 3
H44C H 0.1152 0.8028 0.6239 0.100 Uiso 0.225(3) 1 calc R U P G 3
C45C C 0.0538(9) 0.645(2) 0.5919(8) 0.074(2) Uiso 0.225(3) 1 d DG . P G 3
H45C H -0.0014 0.6815 0.5787 0.089 Uiso 0.225(3) 1 calc R U P G 3
C46C C 0.0653(13) 0.5205(19) 0.5844(8) 0.096(3) Uiso 0.225(3) 1 d DG . P G 3
H46C H 0.0179 0.4713 0.5661 0.116 Uiso 0.225(3) 1 calc R U P G 3
C47C C 0.1460(16) 0.4677(12) 0.6038(10) 0.113(3) Uiso 0.225(3) 1 d DG . P G 3
H47C H 0.1538 0.3824 0.5987 0.135 Uiso 0.225(3) 1 calc R U P G 3
C48C C 0.2153(11) 0.5397(17) 0.6307(8) 0.083(2) Uiso 0.225(3) 1 d DG . P G 3
H48C H 0.2704 0.5036 0.6439 0.099 Uiso 0.225(3) 1 calc R U P G 3
F2C F 0.2576(14) 0.711(2) 0.6580(9) 0.222(4) Uiso 0.225(3) 1 d D . P G 3
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Sb1 Cl1 95.78(6) . .
N1 Sb1 Cl2 89.04(6) . .
Cl1 Sb1 Cl2 95.26(3) . .
N1 Sb2 Cl3 96.48(6) . .
N1 Sb2 Cl4 89.61(6) . .
Cl3 Sb2 Cl4 95.38(3) . .
C1 N1 Sb1 123.05(14) . .
C1 N1 Sb2 121.19(14) . .
Sb1 N1 Sb2 115.74(10) . .
C6 C1 C2 119.9(2) . .
C6 C1 N1 120.3(2) . .
C2 C1 N1 119.8(2) . .
C3 C2 C1 119.0(2) . .
C3 C2 C7 122.0(2) . .
C1 C2 C7 119.0(2) . .
C2 C3 C4 122.1(2) . .
C2 C3 H3 118.9 . .
C4 C3 H3 118.9 . .
C5 C4 C3 117.5(2) . .
C5 C4 C20 122.4(2) . .
C3 C4 C20 120.1(2) . .
C4 C5 C6 122.6(2) . .
C4 C5 H5 118.7 . .
C6 C5 H5 118.7 . .
C5 C6 C1 118.8(2) . .
C5 C6 C24 121.0(2) . .
C1 C6 C24 120.2(2) . .
C14 C7 C2 112.78(19) . .
C14 C7 C8 111.82(18) . .
C2 C7 C8 114.48(19) . .
C14 C7 H7 105.6 . .
C2 C7 H7 105.6 . .
C8 C7 H7 105.6 . .
C13 C8 C9 118.3(2) . .
C13 C8 C7 122.1(2) . .
C9 C8 C7 119.4(2) . .
C10 C9 C8 120.6(2) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C11 120.5(2) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C12 C11 C10 119.3(2) . .
C12 C11 H11 120.4 . .
C10 C11 H11 120.4 . .
C11 C12 C13 120.3(2) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C8 C13 C12 121.0(2) . .
C8 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C19 C14 C15 118.6(2) . .
C19 C14 C7 121.5(2) . .
C15 C14 C7 119.8(2) . .
C16 C15 C14 120.7(2) . .
C16 C15 H15 119.7 . .
C14 C15 H15 119.7 . .
C15 C16 C17 120.1(3) . .
C15 C16 H16 119.9 . .
C17 C16 H16 119.9 . .
C18 C17 C16 120.0(2) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 120.2(2) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
C14 C19 C18 120.4(2) . .
C14 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C23 C20 C21 108.1(2) . .
C23 C20 C4 112.1(2) . .
C21 C20 C4 110.8(2) . .
C23 C20 C22 108.8(2) . .
C21 C20 C22 108.8(2) . .
C4 C20 C22 108.1(2) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C31 C24 C25 110.66(19) . .
C31 C24 C6 113.1(2) . .
C25 C24 C6 113.34(19) . .
C31 C24 H24 106.4 . .
C25 C24 H24 106.4 . .
C6 C24 H24 106.4 . .
C30 C25 C26 118.4(2) . .
C30 C25 C24 122.6(2) . .
C26 C25 C24 119.0(2) . .
C27 C26 C25 120.2(3) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C28 C27 C26 120.7(3) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C29 C28 C27 119.6(3) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
C28 C29 C30 120.2(3) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
C25 C30 C29 121.0(3) . .
C25 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C36 C31 C32 118.2(3) . .
C36 C31 C24 122.3(2) . .
C32 C31 C24 119.4(2) . .
C31 C32 C33 120.9(3) . .
C31 C32 H32 119.6 . .
C33 C32 H32 119.6 . .
C34 C33 C32 120.0(3) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C35 C34 C33 119.6(3) . .
C35 C34 H34 120.2 . .
C33 C34 H34 120.2 . .
C34 C35 C36 120.3(3) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C31 C36 C35 121.1(3) . .
C31 C36 H36 119.5 . .
C35 C36 H36 119.5 . .
C38A C37A C42A 120.0 . .
C38A C37A H37A 120.0 . .
C42A C37A H37A 120.0 . .
C37A C38A C39A 120.0 . .
C37A C38A H38A 120.0 . .
C39A C38A H38A 120.0 . .
C38A C39A C40A 120.0 . .
C38A C39A H39A 120.0 . .
C40A C39A H39A 120.0 . .
C41A C40A C39A 120.0 . .
C41A C40A H40A 120.0 . .
C39A C40A H40A 120.0 . .
C40A C41A C42A 120.0 . .
C40A C41A H41A 120.0 . .
C42A C41A H41A 120.0 . .
F1A C42A C41A 118.4(4) . .
F1A C42A C37A 121.6(4) . .
C41A C42A C37A 120.0 . .
C38B C37B C42B 120.0 . .
C38B C37B H37B 120.0 . .
C42B C37B H37B 120.0 . .
C37B C38B C39B 120.0 . .
C37B C38B H38B 120.0 . .
C39B C38B H38B 120.0 . .
C40B C39B C38B 120.0 . .
C40B C39B H39B 120.0 . .
C38B C39B H39B 120.0 . .
C39B C40B C41B 120.0 . .
C39B C40B H40B 120.0 . .
C41B C40B H40B 120.0 . .
C42B C41B C40B 120.0 . .
C42B C41B H41B 120.0 . .
C40B C41B H41B 120.0 . .
F1B C42B C41B 115.7(8) . .
F1B C42B C37B 124.3(8) . .
C41B C42B C37B 120.0 . .
C38C C37C C42C 120.0 . .
C38C C37C H37C 120.0 . .
C42C C37C H37C 120.0 . .
C37C C38C C39C 120.0 . .
C37C C38C H38C 120.0 . .
C39C C38C H38C 120.0 . .
C40C C39C C38C 120.0 . .
C40C C39C H39C 120.0 . .
C38C C39C H39C 120.0 . .
C39C C40C C41C 120.0 . .
C39C C40C H40C 120.0 . .
C41C C40C H40C 120.0 . .
C42C C41C C40C 120.0 . .
C42C C41C H41C 120.0 . .
C40C C41C H41C 120.0 . .
F1C C42C C41C 116.2(7) . .
F1C C42C C37C 123.8(7) . .
C41C C42C C37C 120.0 . .
C38D C37D C42D 120.0 . .
C38D C37D H37D 120.0 . .
C42D C37D H37D 120.0 . .
C39D C38D C37D 120.0 . .
C39D C38D H38D 120.0 . .
C37D C38D H38D 120.0 . .
C40D C39D C38D 120.0 . .
C40D C39D H39D 120.0 . .
C38D C39D H39D 120.0 . .
C39D C40D C41D 120.0 . .
C39D C40D H40D 120.0 . .
C41D C40D H40D 120.0 . .
C42D C41D C40D 120.0 . .
C42D C41D H41D 120.0 . .
C40D C41D H41D 120.0 . .
F1D C42D C41D 116.2(9) . .
F1D C42D C37D 123.8(9) . .
C41D C42D C37D 120.0 . .
F2A C43A C44A 119.5(5) . .
F2A C43A C48A 120.3(5) . .
C44A C43A C48A 120.0 . .
C43A C44A C45A 120.0 . .
C43A C44A H44A 120.0 . .
C45A C44A H44A 120.0 . .
C46A C45A C44A 120.0 . .
C46A C45A H45A 120.0 . .
C44A C45A H45A 120.0 . .
C47A C46A C45A 120.0 . .
C47A C46A H46A 120.0 . .
C45A C46A H46A 120.0 . .
C48A C47A C46A 120.0 . .
C48A C47A H47A 120.0 . .
C46A C47A H47A 120.0 . .
C47A C48A C43A 120.0 . .
C47A C48A H48A 120.0 . .
C43A C48A H48A 120.0 . .
F2B C43B C44B 120.8(5) . .
F2B C43B C48B 119.2(5) . .
C44B C43B C48B 120.0 . .
C45B C44B C43B 120.0 . .
C45B C44B H44B 120.0 . .
C43B C44B H44B 120.0 . .
C44B C45B C46B 120.0 . .
C44B C45B H45B 120.0 . .
C46B C45B H45B 120.0 . .
C45B C46B C47B 120.0 . .
C45B C46B H46B 120.0 . .
C47B C46B H46B 120.0 . .
C48B C47B C46B 120.0 . .
C48B C47B H47B 120.0 . .
C46B C47B H47B 120.0 . .
C47B C48B C43B 120.0 . .
C47B C48B H48B 120.0 . .
C43B C48B H48B 120.0 . .
F2C C43C C44C 124.7(18) . .
F2C C43C C48C 115.3(18) . .
C44C C43C C48C 120.0 . .
C45C C44C C43C 120.0 . .
C45C C44C H44C 120.0 . .
C43C C44C H44C 120.0 . .
C44C C45C C46C 120.0 . .
C44C C45C H45C 120.0 . .
C46C C45C H45C 120.0 . .
C45C C46C C47C 120.0 . .
C45C C46C H46C 120.0 . .
C47C C46C H46C 120.0 . .
C48C C47C C46C 120.0 . .
C48C C47C H47C 120.0 . .
C46C C47C H47C 120.0 . .
C47C C48C C43C 120.0 . .
C47C C48C H48C 120.0 . .
C43C C48C H48C 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 N1 2.0299(19) .
Sb1 Cl1 2.3709(7) .
Sb1 Cl2 2.4338(7) .
Sb2 N1 2.0392(18) .
Sb2 Cl3 2.3731(7) .
Sb2 Cl4 2.4199(7) .
N1 C1 1.434(3) .
C1 C6 1.406(3) .
C1 C2 1.412(3) .
C2 C3 1.394(3) .
C2 C7 1.525(3) .
C3 C4 1.397(3) .
C3 H3 0.9500 .
C4 C5 1.391(3) .
C4 C20 1.532(3) .
C5 C6 1.394(3) .
C5 H5 0.9500 .
C6 C24 1.529(3) .
C7 C14 1.521(3) .
C7 C8 1.537(3) .
C7 H7 1.0000 .
C8 C13 1.390(3) .
C8 C9 1.395(3) .
C9 C10 1.387(4) .
C9 H9 0.9500 .
C10 C11 1.388(4) .
C10 H10 0.9500 .
C11 C12 1.379(4) .
C11 H11 0.9500 .
C12 C13 1.390(4) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 C19 1.393(3) .
C14 C15 1.398(4) .
C15 C16 1.386(3) .
C15 H15 0.9500 .
C16 C17 1.387(4) .
C16 H16 0.9500 .
C17 C18 1.375(4) .
C17 H17 0.9500 .
C18 C19 1.401(3) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C23 1.523(4) .
C20 C21 1.530(4) .
C20 C22 1.541(4) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C31 1.521(3) .
C24 C25 1.527(3) .
C24 H24 1.0000 .
C25 C30 1.389(3) .
C25 C26 1.399(3) .
C26 C27 1.389(4) .
C26 H26 0.9500 .
C27 C28 1.383(5) .
C27 H27 0.9500 .
C28 C29 1.375(4) .
C28 H28 0.9500 .
C29 C30 1.392(4) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C36 1.380(4) .
C31 C32 1.381(4) .
C32 C33 1.389(5) .
C32 H32 0.9500 .
C33 C34 1.375(5) .
C33 H33 0.9500 .
C34 C35 1.372(5) .
C34 H34 0.9500 .
C35 C36 1.382(4) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37A C38A 1.3900 .
C37A C42A 1.3900 .
C37A H37A 0.9500 .
C38A C39A 1.3900 .
C38A H38A 0.9500 .
C39A C40A 1.3900 .
C39A H39A 0.9500 .
C40A C41A 1.3900 .
C40A H40A 0.9500 .
C41A C42A 1.3900 .
C41A H41A 0.9500 .
C42A F1A 1.307(7) .
C37B C38B 1.3900 .
C37B C42B 1.3900 .
C37B H37B 0.9500 .
C38B C39B 1.3900 .
C38B H38B 0.9500 .
C39B C40B 1.3900 .
C39B H39B 0.9500 .
C40B C41B 1.3900 .
C40B H40B 0.9500 .
C41B C42B 1.3900 .
C41B H41B 0.9500 .
C42B F1B 1.305(8) .
C37C C38C 1.3900 .
C37C C42C 1.3900 .
C37C H37C 0.9500 .
C38C C39C 1.3900 .
C38C H38C 0.9500 .
C39C C40C 1.3900 .
C39C H39C 0.9500 .
C40C C41C 1.3900 .
C40C H40C 0.9500 .
C41C C42C 1.3900 .
C41C H41C 0.9500 .
C42C F1C 1.290(8) .
C37D C38D 1.3900 .
C37D C42D 1.3900 .
C37D H37D 0.9500 .
C38D C39D 1.3900 .
C38D H38D 0.9500 .
C39D C40D 1.3900 .
C39D H39D 0.9500 .
C40D C41D 1.3900 .
C40D H40D 0.9500 .
C41D C42D 1.3900 .
C41D H41D 0.9500 .
C42D F1D 1.289(9) .
C43A F2A 1.039(12) .
C43A C44A 1.3900 .
C43A C48A 1.3900 .
C44A C45A 1.3900 .
C44A H44A 0.9500 .
C45A C46A 1.3900 .
C45A H45A 0.9500 .
C46A C47A 1.3900 .
C46A H46A 0.9500 .
C47A C48A 1.3900 .
C47A H47A 0.9500 .
C48A H48A 0.9500 .
C43B F2B 0.982(17) .
C43B C44B 1.3900 .
C43B C48B 1.3900 .
C44B C45B 1.3900 .
C44B H44B 0.9500 .
C45B C46B 1.3900 .
C45B H45B 0.9500 .
C46B C47B 1.3900 .
C46B H46B 0.9500 .
C47B C48B 1.3900 .
C47B H47B 0.9500 .
C48B H48B 0.9500 .
C43C F2C 1.017(17) .
C43C C44C 1.3900 .
C43C C48C 1.3900 .
C44C C45C 1.3900 .
C44C H44C 0.9500 .
C45C C46C 1.3900 .
C45C H45C 0.9500 .
C46C C47C 1.3900 .
C46C H46C 0.9500 .
C47C C48C 1.3900 .
C47C H47C 0.9500 .
C48C H48C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Sb1 N1 C1 C6 80.0(2) . . . .
Sb2 N1 C1 C6 -98.3(2) . . . .
Sb1 N1 C1 C2 -101.3(2) . . . .
Sb2 N1 C1 C2 80.4(2) . . . .
C6 C1 C2 C3 2.4(3) . . . .
N1 C1 C2 C3 -176.31(19) . . . .
C6 C1 C2 C7 -178.43(19) . . . .
N1 C1 C2 C7 2.9(3) . . . .
C1 C2 C3 C4 -2.2(3) . . . .
C7 C2 C3 C4 178.7(2) . . . .
C2 C3 C4 C5 0.3(3) . . . .
C2 C3 C4 C20 179.0(2) . . . .
C3 C4 C5 C6 1.5(3) . . . .
C20 C4 C5 C6 -177.2(2) . . . .
C4 C5 C6 C1 -1.3(3) . . . .
C4 C5 C6 C24 177.5(2) . . . .
C2 C1 C6 C5 -0.7(3) . . . .
N1 C1 C6 C5 178.00(19) . . . .
C2 C1 C6 C24 -179.52(19) . . . .
N1 C1 C6 C24 -0.8(3) . . . .
C3 C2 C7 C14 107.1(2) . . . .
C1 C2 C7 C14 -72.0(2) . . . .
C3 C2 C7 C8 -22.2(3) . . . .
C1 C2 C7 C8 158.63(19) . . . .
C14 C7 C8 C13 -4.7(3) . . . .
C2 C7 C8 C13 125.2(2) . . . .
C14 C7 C8 C9 169.8(2) . . . .
C2 C7 C8 C9 -60.4(3) . . . .
C13 C8 C9 C10 1.4(4) . . . .
C7 C8 C9 C10 -173.2(2) . . . .
C8 C9 C10 C11 0.7(4) . . . .
C9 C10 C11 C12 -2.1(5) . . . .
C10 C11 C12 C13 1.1(5) . . . .
C9 C8 C13 C12 -2.4(4) . . . .
C7 C8 C13 C12 172.2(2) . . . .
C11 C12 C13 C8 1.1(4) . . . .
C2 C7 C14 C19 -33.3(3) . . . .
C8 C7 C14 C19 97.4(3) . . . .
C2 C7 C14 C15 149.2(2) . . . .
C8 C7 C14 C15 -80.1(3) . . . .
C19 C14 C15 C16 0.2(4) . . . .
C7 C14 C15 C16 177.8(2) . . . .
C14 C15 C16 C17 0.5(4) . . . .
C15 C16 C17 C18 -1.2(4) . . . .
C16 C17 C18 C19 1.2(4) . . . .
C15 C14 C19 C18 -0.2(4) . . . .
C7 C14 C19 C18 -177.7(2) . . . .
C17 C18 C19 C14 -0.5(4) . . . .
C5 C4 C20 C23 -11.2(3) . . . .
C3 C4 C20 C23 170.1(2) . . . .
C5 C4 C20 C21 -132.2(2) . . . .
C3 C4 C20 C21 49.2(3) . . . .
C5 C4 C20 C22 108.6(3) . . . .
C3 C4 C20 C22 -70.0(3) . . . .
C5 C6 C24 C31 -13.2(3) . . . .
C1 C6 C24 C31 165.6(2) . . . .
C5 C6 C24 C25 113.8(2) . . . .
C1 C6 C24 C25 -67.4(3) . . . .
C31 C24 C25 C30 100.3(3) . . . .
C6 C24 C25 C30 -27.9(3) . . . .
C31 C24 C25 C26 -77.6(3) . . . .
C6 C24 C25 C26 154.2(2) . . . .
C30 C25 C26 C27 0.1(4) . . . .
C24 C25 C26 C27 178.1(2) . . . .
C25 C26 C27 C28 0.1(4) . . . .
C26 C27 C28 C29 -0.7(4) . . . .
C27 C28 C29 C30 1.1(4) . . . .
C26 C25 C30 C29 0.3(4) . . . .
C24 C25 C30 C29 -177.6(2) . . . .
C28 C29 C30 C25 -0.9(4) . . . .
C25 C24 C31 C36 -35.8(3) . . . .
C6 C24 C31 C36 92.6(3) . . . .
C25 C24 C31 C32 146.2(3) . . . .
C6 C24 C31 C32 -85.4(3) . . . .
C36 C31 C32 C33 0.3(5) . . . .
C24 C31 C32 C33 178.3(3) . . . .
C31 C32 C33 C34 0.2(6) . . . .
C32 C33 C34 C35 -0.5(6) . . . .
C33 C34 C35 C36 0.4(6) . . . .
C32 C31 C36 C35 -0.4(5) . . . .
C24 C31 C36 C35 -178.4(3) . . . .
C34 C35 C36 C31 0.1(5) . . . .
C42A C37A C38A C39A 0.0 . . . .
C37A C38A C39A C40A 0.0 . . . .
C38A C39A C40A C41A 0.0 . . . .
C39A C40A C41A C42A 0.0 . . . .
C40A C41A C42A F1A -180.0(3) . . . .
C40A C41A C42A C37A 0.0 . . . .
C38A C37A C42A F1A 180.0(3) . . . .
C38A C37A C42A C41A 0.0 . . . .
C42B C37B C38B C39B 0.0 . . . .
C37B C38B C39B C40B 0.0 . . . .
C38B C39B C40B C41B 0.0 . . . .
C39B C40B C41B C42B 0.0 . . . .
C40B C41B C42B F1B -180.0(3) . . . .
C40B C41B C42B C37B 0.0 . . . .
C38B C37B C42B F1B 180.0(3) . . . .
C38B C37B C42B C41B 0.0 . . . .
C42C C37C C38C C39C 0.0 . . . .
C37C C38C C39C C40C 0.0 . . . .
C38C C39C C40C C41C 0.0 . . . .
C39C C40C C41C C42C 0.0 . . . .
C40C C41C C42C F1C 179.9(3) . . . .
C40C C41C C42C C37C 0.0 . . . .
C38C C37C C42C F1C -179.9(3) . . . .
C38C C37C C42C C41C 0.0 . . . .
C42D C37D C38D C39D 0.0 . . . .
C37D C38D C39D C40D 0.0 . . . .
C38D C39D C40D C41D 0.0 . . . .
C39D C40D C41D C42D 0.0 . . . .
C40D C41D C42D F1D 180.0(3) . . . .
C40D C41D C42D C37D 0.0 . . . .
C38D C37D C42D F1D -180.0(3) . . . .
C38D C37D C42D C41D 0.0 . . . .
F2A C43A C44A C45A -175.8(13) . . . .
C48A C43A C44A C45A 0.0 . . . .
C43A C44A C45A C46A 0.0 . . . .
C44A C45A C46A C47A 0.0 . . . .
C45A C46A C47A C48A 0.0 . . . .
C46A C47A C48A C43A 0.0 . . . .
F2A C43A C48A C47A 175.7(13) . . . .
C44A C43A C48A C47A 0.0 . . . .
F2B C43B C44B C45B -179.8(4) . . . .
C48B C43B C44B C45B 0.0 . . . .
C43B C44B C45B C46B 0.0 . . . .
C44B C45B C46B C47B 0.0 . . . .
C45B C46B C47B C48B 0.0 . . . .
C46B C47B C48B C43B 0.0 . . . .
F2B C43B C48B C47B 179.8(4) . . . .
C44B C43B C48B C47B 0.0 . . . .
F2C C43C C44C C45C 179.6(4) . . . .
C48C C43C C44C C45C 0.0 . . . .
C43C C44C C45C C46C 0.0 . . . .
C44C C45C C46C C47C 0.0 . . . .
C45C C46C C47C C48C 0.0 . . . .
C46C C47C C48C C43C 0.0 . . . .
F2C C43C C48C C47C -179.7(4) . . . .
C44C C43C C48C C47C 0.0 . . . .
