#------------------------------------------------------------------------------
#$Date: 2019-11-02 07:01:01 +0200 (Sat, 02 Nov 2019) $
#$Revision: 220883 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/76/4127686.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_4127686
loop_
_publ_author_name
'Li, Zhengtao'
'Gopalakrishna, Tullimilli Y.'
'Han, Yi'
'Gu, Yanwei'
'Yuan, Liu'
'Zeng, Wangdong'
'Casanova, David'
'Wu, Jishan'
_publ_section_title
;
 [6]Cyclo-para-phenylmethine: An Analog of Benzene Showing Global
 Aromaticity and Open-Shell Diradical Character.
;
_journal_issue                   41
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16266
_journal_page_last               16270
_journal_paper_doi               10.1021/jacs.9b09780
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C50 H49 Cl4 F6 Sb'
_chemical_formula_weight         1027.44
_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
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 102.3620(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.4802(5)
_cell_length_b                   20.4445(5)
_cell_length_c                   14.8005(4)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.37
_cell_volume                     4575.5(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            72539
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.405
_exptl_absorpt_coefficient_mu    0.896
_exptl_absorpt_correction_T_max  0.866
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2088
_exptl_crystal_size_max          0.321
_exptl_crystal_size_mid          0.313
_exptl_crystal_size_min          0.160
_refine_diff_density_max         1.496
_refine_diff_density_min         -1.849
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         8477
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1286P)²+36.4643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2247
_refine_ls_wR_factor_ref         0.2346
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7401
_reflns_number_total             8477
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja9b09780_si_003.cif
_cod_data_source_block           GK
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4127686
_shelx_shelxl_version_number     2018/3
_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   0.762
_shelx_estimated_absorpt_t_max   0.870
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_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
C1 C 0.1935(4) 1.0219(3) 0.2845(4) 0.0199(11) Uani 1 1 d . .
C2 C 0.2428(4) 0.9841(3) 0.3566(4) 0.0221(12) Uani 1 1 d . .
H2 H 0.256302 1.001111 0.417775 0.027 Uiso 1 1 calc R U
C3 C 0.2719(4) 0.9222(3) 0.3396(4) 0.0214(11) Uani 1 1 d . .
H3 H 0.306325 0.897666 0.388916 0.026 Uiso 1 1 calc R U
C4 C 0.2513(4) 0.8953(3) 0.2502(4) 0.0195(11) Uani 1 1 d . .
C5 C 0.1979(4) 0.9318(3) 0.1786(4) 0.0225(12) Uani 1 1 d . .
H5 H 0.181236 0.913574 0.118280 0.027 Uiso 1 1 calc R U
C6 C 0.1696(4) 0.9935(3) 0.1952(4) 0.0224(12) Uani 1 1 d . .
H6 H 0.133505 1.017467 0.146274 0.027 Uiso 1 1 calc R U
C7 C 0.2809(3) 0.8300(3) 0.2339(4) 0.0171(11) Uani 1 1 d . .
C8 C 0.3628(3) 0.8074(3) 0.2868(4) 0.0170(10) Uani 1 1 d . .
C9 C 0.4338(4) 0.8509(3) 0.3244(4) 0.0189(11) Uani 1 1 d . .
H9 H 0.428408 0.896101 0.309472 0.023 Uiso 1 1 calc R U
C10 C 0.5091(4) 0.8286(3) 0.3813(4) 0.0195(11) Uani 1 1 d . .
H10 H 0.556705 0.858024 0.402164 0.023 Uiso 1 1 calc R U
C11 C 0.5177(3) 0.7617(3) 0.4101(4) 0.0161(10) Uani 1 1 d . .
C12 C 0.4502(3) 0.7182(3) 0.3674(4) 0.0175(11) Uani 1 1 d . .
H12 H 0.456068 0.672932 0.381811 0.021 Uiso 1 1 calc R U
C13 C 0.3766(4) 0.7395(3) 0.3056(4) 0.0177(11) Uani 1 1 d . .
H13 H 0.334326 0.708701 0.275142 0.021 Uiso 1 1 calc R U
C14 C 0.5939(3) 0.7379(3) 0.4747(4) 0.0170(10) Uani 1 1 d . .
C15 C 0.6507(3) 0.7795(3) 0.5355(4) 0.0179(11) Uani 1 1 d . .
C16 C 0.6237(4) 0.8414(3) 0.5640(4) 0.0192(11) Uani 1 1 d . .
H16 H 0.563543 0.854017 0.544366 0.023 Uiso 1 1 calc R U
C17 C 0.6803(3) 0.8827(3) 0.6177(4) 0.0186(11) Uani 1 1 d . .
H17 H 0.658592 0.922953 0.635874 0.022 Uiso 1 1 calc R U
C18 C 0.7737(4) 0.8673(3) 0.6486(4) 0.0188(11) Uani 1 1 d . .
C19 C 0.7995(4) 0.8022(3) 0.6259(4) 0.0208(11) Uani 1 1 d . .
H19 H 0.858910 0.788548 0.647904 0.025 Uiso 1 1 calc R U
C20 C 0.7411(4) 0.7601(3) 0.5741(4) 0.0217(11) Uani 1 1 d . .
H20 H 0.759906 0.717200 0.562974 0.026 Uiso 1 1 calc R U
C21 C 0.8332(4) 0.9108(3) 0.6998(4) 0.0192(11) Uani 1 1 d . .
C22 C 0.9265(4) 0.8932(3) 0.7422(4) 0.0200(11) Uani 1 1 d . .
C23 C 0.9942(4) 0.9223(3) 0.7068(4) 0.0240(12) Uani 1 1 d . .
C24 C 0.9747(5) 0.9687(3) 0.6261(5) 0.0340(15) Uani 1 1 d . .
H24A H 1.028710 0.976041 0.602890 0.051 Uiso 1 1 calc R U
H24B H 0.953874 1.010484 0.645982 0.051 Uiso 1 1 calc R U
H24C H 0.929003 0.949940 0.576762 0.051 Uiso 1 1 calc R U
C25 C 1.0813(4) 0.9077(3) 0.7472(4) 0.0279(13) Uani 1 1 d . .
H25 H 1.127213 0.926444 0.722035 0.033 Uiso 1 1 calc R U
C26 C 1.1037(4) 0.8666(3) 0.8232(5) 0.0290(14) Uani 1 1 d . .
C27 C 1.1977(4) 0.8512(4) 0.8690(5) 0.0400(17) Uani 1 1 d . .
H27A H 1.205634 0.856742 0.936066 0.060 Uiso 1 1 calc R U
H27B H 1.237522 0.880992 0.845698 0.060 Uiso 1 1 calc R U
H27C H 1.211246 0.805989 0.855204 0.060 Uiso 1 1 calc R U
C28 C 1.0348(4) 0.8384(3) 0.8587(4) 0.0278(13) Uani 1 1 d . .
H28 H 1.049079 0.810543 0.911187 0.033 Uiso 1 1 calc R U
C29 C 0.9467(4) 0.8504(3) 0.8191(4) 0.0240(12) Uani 1 1 d . .
C30 C 0.8753(4) 0.8196(3) 0.8593(4) 0.0312(14) Uani 1 1 d . .
H30A H 0.902169 0.796135 0.916149 0.047 Uiso 1 1 calc R U
H30B H 0.841499 0.788804 0.814548 0.047 Uiso 1 1 calc R U
H30C H 0.835786 0.853681 0.873487 0.047 Uiso 1 1 calc R U
C31 C 0.6108(3) 0.6659(3) 0.4760(4) 0.0177(11) Uani 1 1 d . .
C32 C 0.6053(4) 0.6290(3) 0.5549(4) 0.0224(12) Uani 1 1 d . .
C33 C 0.5886(5) 0.6603(3) 0.6415(4) 0.0317(14) Uani 1 1 d . .
H33A H 0.572660 0.626525 0.681995 0.048 Uiso 1 1 calc R U
H33B H 0.540159 0.691851 0.625259 0.048 Uiso 1 1 calc R U
H33C H 0.642279 0.682882 0.673669 0.048 Uiso 1 1 calc R U
C34 C 0.6108(4) 0.5614(3) 0.5503(5) 0.0349(15) Uani 1 1 d . .
H34 H 0.606756 0.535893 0.602877 0.042 Uiso 1 1 calc R U
C35 C 0.6224(5) 0.5298(3) 0.4691(6) 0.0439(19) Uani 1 1 d . .
C36 C 0.6236(7) 0.4548(4) 0.4653(9) 0.066(3) Uani 1 1 d . .
H36A H 0.580027 0.439673 0.411149 0.099 Uiso 1 1 calc R U
H36B H 0.608865 0.436952 0.521574 0.099 Uiso 1 1 calc R U
H36C H 0.682625 0.439821 0.460651 0.099 Uiso 1 1 calc R U
C37 C 0.6312(4) 0.5673(3) 0.3955(5) 0.0347(15) Uani 1 1 d . .
H37 H 0.641890 0.546407 0.341631 0.042 Uiso 1 1 calc R U
C38 C 0.6251(4) 0.6348(3) 0.3968(4) 0.0267(13) Uani 1 1 d . .
C39 C 0.6335(4) 0.6735(4) 0.3120(4) 0.0363(16) Uani 1 1 d . .
H39A H 0.675487 0.651703 0.280979 0.055 Uiso 1 1 calc R U
H39B H 0.654832 0.717686 0.330562 0.055 Uiso 1 1 calc R U
H39C H 0.575597 0.676325 0.269532 0.055 Uiso 1 1 calc R U
C40 C 0.2251(3) 0.7867(2) 0.1666(3) 0.0151(10) Uani 1 1 d . .
C41 C 0.2607(4) 0.7543(3) 0.0983(4) 0.0191(11) Uani 1 1 d . .
C42 C 0.3527(4) 0.7664(3) 0.0839(4) 0.0257(12) Uani 1 1 d . .
H42A H 0.354247 0.758357 0.018962 0.038 Uiso 1 1 calc R U
H42B H 0.394271 0.736886 0.123526 0.038 Uiso 1 1 calc R U
H42C H 0.369599 0.811852 0.099762 0.038 Uiso 1 1 calc R U
C43 C 0.2068(4) 0.7107(3) 0.0389(4) 0.0275(13) Uani 1 1 d . .
H43 H 0.230286 0.689201 -0.007487 0.033 Uiso 1 1 calc R U
C44 C 0.1215(4) 0.6978(3) 0.0450(4) 0.0291(14) Uani 1 1 d . .
C45 C 0.0651(6) 0.6491(4) -0.0184(5) 0.054(2) Uani 1 1 d . .
H45A H 0.022236 0.672527 -0.065592 0.081 Uiso 1 1 calc R U
H45B H 0.033544 0.621217 0.017777 0.081 Uiso 1 1 calc R U
H45C H 0.102885 0.621844 -0.048378 0.081 Uiso 1 1 calc R U
C46 C 0.0865(4) 0.7307(3) 0.1114(4) 0.0265(13) Uani 1 1 d . .
H46 H 0.026924 0.722619 0.115078 0.032 Uiso 1 1 calc R U
C47 C 0.1363(4) 0.7749(3) 0.1725(4) 0.0194(11) Uani 1 1 d . .
C48 C 0.0947(4) 0.8047(3) 0.2460(5) 0.0297(13) Uani 1 1 d . .
H48A H 0.041544 0.779880 0.250412 0.045 Uiso 1 1 calc R U
H48B H 0.078459 0.850207 0.229838 0.045 Uiso 1 1 calc R U
H48C H 0.136892 0.803354 0.305681 0.045 Uiso 1 1 calc R U
Sb1 Sb 0.39421(3) 0.54023(2) 0.13947(3) 0.02770(19) Uani 1 1 d . .
F1 F 0.2698(3) 0.5423(3) 0.1026(4) 0.0635(15) Uani 1 1 d . .
F2 F 0.3894(5) 0.5995(3) 0.2321(4) 0.090(2) Uani 1 1 d . .
F3 F 0.5181(3) 0.5363(3) 0.1744(4) 0.0555(13) Uani 1 1 d . .
F4 F 0.3967(4) 0.4800(3) 0.0456(3) 0.0598(14) Uani 1 1 d . .
F5 F 0.3880(4) 0.4711(3) 0.2198(4) 0.0663(16) Uani 1 1 d . .
F6 F 0.4000(4) 0.6080(2) 0.0561(4) 0.0641(14) Uani 1 1 d . .
Cl1 Cl 0.98702(19) 0.58649(17) 0.5412(2) 0.0849(9) Uani 1 1 d . .
Cl2 Cl 0.82414(19) 0.52917(17) 0.5676(2) 0.0853(9) Uani 1 1 d . .
C49 C 0.9375(8) 0.5316(6) 0.5981(12) 0.096(4) Uani 1 1 d . .
H49A H 0.955044 0.541102 0.665141 0.115 Uiso 1 1 calc R U
H49B H 0.960506 0.487582 0.588074 0.115 Uiso 1 1 calc R U
Cl3 Cl 0.1205(2) 0.36412(19) 0.2366(3) 0.0953(10) Uani 1 1 d . .
Cl4 Cl 0.2247(3) 0.3602(2) 0.1003(3) 0.1103(13) Uani 1 1 d . .
C50 C 0.1956(4) 0.4015(3) 0.1645(7) 0.047(2) Uani 1 1 d . .
H50A H 0.164106 0.439005 0.129962 0.056 Uiso 1 1 calc R U
H50B H 0.248486 0.419143 0.207299 0.056 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'
F F 0.0171 0.0103 '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'
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
C2 C1 C6 118.3(5) . .
C2 C1 C21 121.4(5) . 3_676
C6 C1 C21 120.3(5) . 3_676
C3 C2 C1 120.6(5) . .
C2 C3 C4 120.9(5) . .
C3 C4 C5 118.6(5) . .
C3 C4 C7 120.1(5) . .
C5 C4 C7 121.2(5) . .
C6 C5 C4 120.6(5) . .
C5 C6 C1 120.8(5) . .
C8 C7 C4 119.1(5) . .
C8 C7 C40 120.3(5) . .
C4 C7 C40 120.5(5) . .
C7 C8 C13 120.3(5) . .
C7 C8 C9 122.3(5) . .
C13 C8 C9 117.3(5) . .
C10 C9 C8 121.2(5) . .
C9 C10 C11 121.1(5) . .
C12 C11 C10 117.0(5) . .
C12 C11 C14 120.6(5) . .
C10 C11 C14 122.2(5) . .
C13 C12 C11 121.9(5) . .
C12 C13 C8 120.6(5) . .
C15 C14 C11 122.4(5) . .
C15 C14 C31 120.3(5) . .
C11 C14 C31 117.3(5) . .
C14 C15 C16 123.0(5) . .
C14 C15 C20 120.4(5) . .
C16 C15 C20 116.5(5) . .
C17 C16 C15 122.4(5) . .
C16 C17 C18 121.8(5) . .
C21 C18 C19 122.2(5) . .
C21 C18 C17 122.2(5) . .
C19 C18 C17 115.5(5) . .
C20 C19 C18 122.0(5) . .
C19 C20 C15 121.2(5) . .
C18 C21 C1 120.8(5) . 3_676
C18 C21 C22 123.2(5) . .
C1 C21 C22 116.0(5) 3_676 .
C23 C22 C29 120.6(5) . .
C23 C22 C21 118.4(5) . .
C29 C22 C21 121.0(5) . .
C25 C23 C22 119.0(6) . .
C25 C23 C24 119.3(6) . .
C22 C23 C24 121.8(5) . .
C23 C25 C26 122.1(6) . .
C25 C26 C28 118.2(5) . .
C25 C26 C27 122.9(6) . .
C28 C26 C27 118.9(6) . .
C29 C28 C26 121.6(6) . .
C28 C29 C22 118.5(6) . .
C28 C29 C30 119.9(5) . .
C22 C29 C30 121.6(5) . .
C38 C31 C32 120.1(5) . .
C38 C31 C14 119.8(5) . .
C32 C31 C14 119.8(5) . .
C34 C32 C31 118.5(6) . .
C34 C32 C33 119.4(6) . .
C31 C32 C33 122.0(5) . .
C32 C34 C35 121.3(7) . .
C37 C35 C34 118.4(6) . .
C37 C35 C36 121.9(8) . .
C34 C35 C36 119.6(9) . .
C35 C37 C38 122.2(6) . .
C37 C38 C31 119.3(6) . .
C37 C38 C39 119.6(6) . .
C31 C38 C39 121.1(6) . .
C41 C40 C47 119.7(5) . .
C41 C40 C7 120.3(5) . .
C47 C40 C7 119.9(5) . .
C43 C41 C40 118.5(5) . .
C43 C41 C42 118.1(5) . .
C40 C41 C42 123.3(5) . .
C44 C43 C41 122.4(6) . .
C43 C44 C46 118.7(5) . .
C43 C44 C45 121.6(6) . .
C46 C44 C45 119.7(6) . .
C47 C46 C44 121.8(6) . .
C46 C47 C40 118.8(5) . .
C46 C47 C48 118.0(5) . .
C40 C47 C48 123.1(5) . .
F2 Sb1 F5 90.5(3) . .
F2 Sb1 F4 178.9(3) . .
F5 Sb1 F4 89.2(3) . .
F2 Sb1 F6 91.1(3) . .
F5 Sb1 F6 178.4(3) . .
F4 Sb1 F6 89.2(3) . .
F2 Sb1 F3 91.4(3) . .
F5 Sb1 F3 88.9(2) . .
F4 Sb1 F3 89.7(2) . .
F6 Sb1 F3 91.3(2) . .
F2 Sb1 F1 90.0(3) . .
F5 Sb1 F1 90.7(2) . .
F4 Sb1 F1 88.9(3) . .
F6 Sb1 F1 89.0(2) . .
F3 Sb1 F1 178.6(2) . .
Cl1 C49 Cl2 115.9(9) . .
Cl4 C50 Cl3 117.3(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.404(8) .
C1 C6 1.418(8) .
C1 C21 1.470(8) 3_676
C2 C3 1.384(8) .
C3 C4 1.406(8) .
C4 C5 1.411(8) .
C4 C7 1.447(7) .
C5 C6 1.376(8) .
C7 C8 1.417(7) .
C7 C40 1.468(7) .
C8 C13 1.423(7) .
C8 C9 1.431(8) .
C9 C10 1.361(8) .
C10 C11 1.432(7) .
C11 C12 1.414(7) .
C11 C14 1.434(7) .
C12 C13 1.370(7) .
C14 C15 1.403(8) .
C14 C31 1.495(7) .
C15 C16 1.424(8) .
C15 C20 1.449(7) .
C16 C17 1.346(8) .
C17 C18 1.455(7) .
C18 C21 1.383(8) .
C18 C19 1.448(8) .
C19 C20 1.360(8) .
C21 C22 1.490(7) .
C22 C23 1.401(9) .
C22 C29 1.417(8) .
C23 C25 1.386(8) .
C23 C24 1.505(9) .
C25 C26 1.387(10) .
C26 C28 1.410(10) .
C26 C27 1.501(8) .
C28 C29 1.386(8) .
C29 C30 1.500(9) .
C31 C38 1.393(8) .
C31 C32 1.409(8) .
C32 C34 1.387(9) .
C32 C33 1.503(9) .
C34 C35 1.409(11) .
C35 C37 1.362(12) .
C35 C36 1.534(10) .
C37 C38 1.384(9) .
C38 C39 1.512(10) .
C40 C41 1.415(8) .
C40 C47 1.416(8) .
C41 C43 1.396(8) .
C41 C42 1.506(8) .
C43 C44 1.369(9) .
C44 C46 1.393(9) .
C44 C45 1.511(8) .
C46 C47 1.389(8) .
C47 C48 1.508(8) .
Sb1 F2 1.843(5) .
Sb1 F5 1.863(5) .
Sb1 F4 1.863(4) .
Sb1 F6 1.871(5) .
Sb1 F3 1.878(5) .
Sb1 F1 1.886(5) .
Cl1 C49 1.683(14) .
Cl2 C49 1.717(13) .
Cl3 C50 1.899(8) .
Cl4 C50 1.415(9) .
