#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:41:04 +0300 (Sat, 06 May 2017) $
#$Revision: 196314 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/37/1543762.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_1543762
loop_
_publ_author_name
'Fukui, Norihito'
'Cha, Wonhee'
'Shimizu, Daiki'
'Oh, Juwon'
'Furukawa, Ko'
'Yorimitsu, Hideki'
'Kim, Dongho'
'Osuka, Atsuhiro'
_publ_section_title
;
 Highly planar diarylamine-fused porphyrins and their remarkably stable
 radical cations.
;
_journal_issue                   1
_journal_name_full               'Chemical science'
_journal_page_first              189
_journal_page_last               199
_journal_paper_doi               10.1039/c6sc02721k
_journal_volume                  8
_journal_year                    2017
_chemical_formula_moiety
'(C74 H75 Cl2 N5 Ni), (Cl6 Sb), 0.5(C H2 Cl2)'
_chemical_formula_sum            'C74.5 H76 Cl9 N5 Ni Sb'
_chemical_formula_weight         1540.91
_chemical_name_systematic        '[9]+'
_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-2014/7
_audit_update_record
;
2016-03-17 deposited with the CCDC.
2016-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.508(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.888(11)
_cell_length_b                   9.758(3)
_cell_length_c                   29.846(11)
_cell_measurement_reflns_used    2489
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      67.9
_cell_measurement_theta_min      31.5
_cell_volume                     7448(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.1205
_diffrn_reflns_av_unetI/netI     0.1036
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            49623
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         68.247
_diffrn_reflns_theta_min         6.535
_exptl_absorpt_coefficient_mu    6.500
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.374
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3160
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.438
_refine_diff_density_min         -1.214
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     814
_refine_ls_number_reflns         13432
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0826
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1300P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2363
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7487
_reflns_number_total             13432
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6sc02721k2.cif
_cod_data_source_block           50801NF
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1543756--1543762.cif.

 Adding full bibliography for 1543756--1543762.cif.
;
_cod_original_formula_sum        'C74.50 H76 Cl9 N5 Ni Sb'
_cod_database_code               1543762
_shelx_shelxl_version_number     2014/7
_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   0.146
_shelx_estimated_absorpt_t_max   0.938
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 0.07454(2) 0.68751(6) 0.32263(2) 0.0584(2) Uani 1 1 d . . . . .
Ni1 Ni 0.06751(4) 0.19282(12) 0.36893(4) 0.0428(3) Uani 1 1 d . . . . .
Cl1 Cl 0.00289(7) 0.6042(2) 0.33794(6) 0.0563(5) Uani 1 1 d . . . . .
Cl2 Cl 0.10326(7) 0.8067(2) 0.39787(7) 0.0628(5) Uani 1 1 d . . . . .
Cl3 Cl -0.13970(8) 0.4140(3) 0.32621(7) 0.0703(6) Uani 1 1 d . . . . .
Cl4 Cl 0.12486(9) 0.4956(2) 0.36374(8) 0.0686(6) Uani 1 1 d . . . . .
Cl5 Cl 0.19622(8) -0.0377(3) 0.55748(6) 0.0742(7) Uani 1 1 d . . . . .
Cl6 Cl 0.02341(10) 0.8779(2) 0.28267(8) 0.0751(6) Uani 1 1 d . . . . .
Cl7 Cl 0.04389(12) 0.5663(3) 0.24811(8) 0.0862(7) Uani 1 1 d . . . . .
Cl8 Cl 0.14659(12) 0.7743(3) 0.30980(12) 0.0994(9) Uani 1 1 d . . . . .
N1 N 0.0086(2) 0.2346(6) 0.4981(2) 0.0457(14) Uani 1 1 d . . . . .
N2 N 0.0359(2) 0.2198(6) 0.29922(19) 0.0457(14) Uani 1 1 d . . . . .
C1 C -0.0057(3) 0.2716(7) 0.4149(2) 0.0403(15) Uani 1 1 d . . . . .
N3 N 0.1334(2) 0.1493(6) 0.3653(2) 0.0467(14) Uani 1 1 d . . . . .
N4 N 0.0971(2) 0.1456(6) 0.43848(19) 0.0441(13) Uani 1 1 d . . . . .
N5 N 0.0025(2) 0.2521(6) 0.37320(19) 0.0419(13) Uani 1 1 d . . . . .
C2 C -0.0430(3) 0.2972(7) 0.3361(2) 0.0460(16) Uani 1 1 d . . . . .
C3 C 0.1451(3) 0.0835(8) 0.4658(2) 0.0481(17) Uani 1 1 d . . . . .
C4 C 0.0286(3) 0.0587(8) 0.6147(3) 0.0508(18) Uani 1 1 d . . . . .
H1 H 0.0109 0.0471 0.6358 0.061 Uiso 1 1 calc R U . . .
C5 C 0.1458(3) 0.1638(8) 0.3253(2) 0.0494(18) Uani 1 1 d . . . . .
C6 C -0.0657(3) 0.3748(8) 0.4476(3) 0.0495(17) Uani 1 1 d . . . . .
C7 C -0.0310(3) 0.3316(8) 0.4936(3) 0.0492(18) Uani 1 1 d . . . . .
C8 C 0.1017(3) 0.0953(8) 0.5155(2) 0.0458(17) Uani 1 1 d . . . . .
C9 C -0.1036(3) 0.3378(8) 0.2489(3) 0.0518(19) Uani 1 1 d . . . . .
C10 C 0.2207(3) 0.1071(9) 0.3868(3) 0.057(2) Uani 1 1 d . . . . .
H2 H 0.2561 0.0846 0.4061 0.069 Uiso 1 1 calc R U . . .
C11 C 0.0725(3) 0.1529(7) 0.4700(2) 0.0409(16) Uani 1 1 d . . . . .
C12 C 0.2416(3) -0.1354(8) 0.4781(2) 0.0497(18) Uani 1 1 d . . . . .
H3 H 0.2121 -0.1901 0.4598 0.060 Uiso 1 1 calc R U . . .
C13 C 0.1795(3) 0.1105(8) 0.4026(2) 0.0492(17) Uani 1 1 d . . . . .
C14 C -0.0246(3) 0.2338(8) 0.2203(2) 0.0527(18) Uani 1 1 d . . . . .
H4 H -0.0574 0.2450 0.1935 0.063 Uiso 1 1 calc R U . . .
C15 C 0.0312(3) 0.1518(7) 0.5408(2) 0.0473(17) Uani 1 1 d . . . . .
C16 C 0.0585(3) 0.2012(8) 0.2660(2) 0.0512(18) Uani 1 1 d . . . . .
C17 C 0.1572(3) 0.0712(10) 0.2319(3) 0.061(2) Uani 1 1 d . . . . .
H5 H 0.1635 -0.0047 0.2534 0.073 Uiso 1 1 calc R U . . .
C18 C 0.0796(3) 0.0882(8) 0.5518(2) 0.0468(17) Uani 1 1 d . . . . .
C19 C -0.0779(3) 0.3475(8) 0.3562(3) 0.0492(18) Uani 1 1 d . . . . .
C20 C 0.2009(3) 0.1411(9) 0.3397(3) 0.060(2) Uani 1 1 d . . . . .
H6 H 0.2197 0.1490 0.3194 0.073 Uiso 1 1 calc R U . . .
C21 C 0.2891(3) -0.1968(9) 0.5031(3) 0.0537(19) Uani 1 1 d . . . . .
C22 C 0.0782(3) 0.0065(8) 0.6278(2) 0.055(2) Uani 1 1 d . . . . .
H7 H 0.0957 -0.0356 0.6588 0.066 Uiso 1 1 calc R U . . .
C23 C -0.0540(3) 0.3333(8) 0.4061(2) 0.0482(17) Uani 1 1 d . . . . .
C24 C 0.1466(3) 0.0520(8) 0.5126(2) 0.0506(18) Uani 1 1 d . . . . .
C25 C -0.1070(3) 0.4659(9) 0.4436(3) 0.059(2) Uani 1 1 d . . . . .
H8 H -0.1314 0.4937 0.4123 0.070 Uiso 1 1 calc R U . . .
C26 C 0.0044(3) 0.1277(8) 0.5712(2) 0.0498(18) Uani 1 1 d . . . . .
H9 H -0.0305 0.1591 0.5617 0.060 Uiso 1 1 calc R U . . .
C27 C 0.2799(3) 0.0874(9) 0.5056(3) 0.0559(19) Uani 1 1 d . . . . .
H10 H 0.2758 0.1838 0.5070 0.067 Uiso 1 1 calc R U . . .
C28 C -0.1080(3) 0.4715(9) 0.2341(3) 0.058(2) Uani 1 1 d . . . . .
H11 H -0.0780 0.5287 0.2460 0.069 Uiso 1 1 calc R U . . .
C29 C 0.1361(3) 0.2935(9) 0.1678(3) 0.061(2) Uani 1 1 d . . . . .
C30 C -0.1468(3) 0.2527(8) 0.2301(3) 0.0528(18) Uani 1 1 d . . . . .
H12 H -0.1438 0.1595 0.2400 0.063 Uiso 1 1 calc R U . . .
C31 C 0.0198(3) 0.2068(9) 0.2172(3) 0.057(2) Uani 1 1 d . . . . .
H13 H 0.0254 0.1936 0.1880 0.069 Uiso 1 1 calc R U . . .
C32 C -0.0158(3) 0.2437(8) 0.2710(3) 0.0515(18) Uani 1 1 d . . . . .
C33 C 0.2362(3) 0.0063(9) 0.4793(2) 0.0513(18) Uani 1 1 d . . . . .
C34 C -0.1116(3) 0.5132(9) 0.4846(3) 0.060(2) Uani 1 1 d . . . . .
H14 H -0.1403 0.5700 0.4818 0.072 Uiso 1 1 calc R U . . .
C35 C 0.3294(3) 0.0291(9) 0.5298(3) 0.0539(19) Uani 1 1 d . . . . .
C36 C 0.1019(3) 0.0158(8) 0.5960(2) 0.0495(17) Uani 1 1 d . . . . .
H15 H 0.1347 -0.0282 0.6039 0.059 Uiso 1 1 calc R U . . .
C37 C -0.0342(3) 0.3931(8) 0.5353(3) 0.0514(18) Uani 1 1 d . . . . .
H16 H -0.0080 0.3743 0.5668 0.062 Uiso 1 1 calc R U . . .
C38 C -0.1556(4) 0.5258(9) 0.2018(3) 0.067(2) Uani 1 1 d . . . . .
C39 C 0.1307(3) 0.1828(9) 0.2379(3) 0.0555(19) Uani 1 1 d . . . . .
C40 C 0.1199(3) 0.2940(9) 0.2065(3) 0.0546(19) Uani 1 1 d . . . . .
H17 H 0.1015 0.3707 0.2113 0.066 Uiso 1 1 calc R U . . .
C41 C -0.0534(3) 0.2881(7) 0.2865(2) 0.0481(17) Uani 1 1 d . . . . .
C42 C 0.1106(3) 0.1833(8) 0.2777(3) 0.0523(18) Uani 1 1 d . . . . .
C43 C 0.1853(3) 0.0704(8) 0.4498(3) 0.0516(18) Uani 1 1 d . . . . .
C44 C 0.0924(5) 0.5261(14) 0.1419(5) 0.123(5) Uani 1 1 d . . . . .
H22 H 0.0612 0.4874 0.1445 0.185 Uiso 1 1 calc R U . . .
H23 H 0.1140 0.5715 0.1726 0.185 Uiso 1 1 calc R U . . .
H24 H 0.0818 0.5929 0.1152 0.185 Uiso 1 1 calc R U . . .
C45 C 0.0252(3) 0.2196(7) 0.4603(2) 0.0440(17) Uani 1 1 d . . . . .
C46 C -0.1935(3) 0.3010(9) 0.1976(3) 0.065(2) Uani 1 1 d . . . . .
C47 C 0.3325(3) -0.1120(8) 0.5287(3) 0.0527(18) Uani 1 1 d . . . . .
H18 H 0.3655 -0.1541 0.5461 0.063 Uiso 1 1 calc R U . . .
C48 C -0.0744(3) 0.4788(8) 0.5308(3) 0.057(2) Uani 1 1 d . . . . .
H19 H -0.0771 0.5153 0.5592 0.068 Uiso 1 1 calc R U . . .
C49 C 0.2060(4) -0.0541(10) 0.1864(3) 0.070(2) Uani 1 1 d . . . . .
C50 C 0.1754(3) 0.0673(10) 0.1942(3) 0.068(2) Uani 1 1 d . . . . .
C51 C 0.3763(3) 0.1214(10) 0.5545(3) 0.071(2) Uani 1 1 d . . . . .
C52 C 0.0863(6) 0.3617(14) 0.0804(4) 0.122(5) Uani 1 1 d . . . . .
H25 H 0.0546 0.3231 0.0821 0.183 Uiso 1 1 calc R U . . .
H26 H 0.0768 0.4386 0.0574 0.183 Uiso 1 1 calc R U . . .
H27 H 0.1040 0.2910 0.0692 0.183 Uiso 1 1 calc R U . . .
C53 C 0.3837(4) 0.2070(11) 0.5140(4) 0.083(3) Uani 1 1 d . . . . .
H28 H 0.3518 0.2594 0.4961 0.124 Uiso 1 1 calc R U . . .
H29 H 0.4132 0.2702 0.5289 0.124 Uiso 1 1 calc R U . . .
H30 H 0.3909 0.1456 0.4914 0.124 Uiso 1 1 calc R U . . .
C54 C 0.1633(3) 0.1824(10) 0.1632(3) 0.068(2) Uani 1 1 d . . . . .
H20 H 0.1749 0.1825 0.1373 0.081 Uiso 1 1 calc R U . . .
C55 C 0.2750(5) -0.3991(10) 0.4481(4) 0.090(3) Uani 1 1 d . . . . .
H31 H 0.2396 -0.3648 0.4294 0.135 Uiso 1 1 calc R U . . .
H32 H 0.2988 -0.3621 0.4343 0.135 Uiso 1 1 calc R U . . .
H33 H 0.2751 -0.4994 0.4465 0.135 Uiso 1 1 calc R U . . .
C56 C 0.2931(3) -0.3538(9) 0.5012(3) 0.061(2) Uani 1 1 d . . . . .
C57 C -0.1382(4) 0.7621(10) 0.2364(4) 0.084(3) Uani 1 1 d . . . . .
H34 H -0.1041 0.7274 0.2590 0.126 Uiso 1 1 calc R U . . .
H35 H -0.1348 0.8583 0.2288 0.126 Uiso 1 1 calc R U . . .
H36 H -0.1634 0.7545 0.2517 0.126 Uiso 1 1 calc R U . . .
C58 C 0.1694(5) 0.4685(16) 0.1277(6) 0.148(6) Uani 1 1 d . . . . .
H37 H 0.1894 0.3944 0.1210 0.222 Uiso 1 1 calc R U . . .
H38 H 0.1590 0.5353 0.1009 0.222 Uiso 1 1 calc R U . . .
H39 H 0.1912 0.5139 0.1584 0.222 Uiso 1 1 calc R U . . .
C59 C 0.2160(4) -0.1644(10) 0.2255(3) 0.077(3) Uani 1 1 d . . . . .
H40 H 0.2354 -0.1244 0.2579 0.115 Uiso 1 1 calc R U . . .
H41 H 0.1825 -0.2002 0.2239 0.115 Uiso 1 1 calc R U . . .
H42 H 0.2364 -0.2391 0.2199 0.115 Uiso 1 1 calc R U . . .
C60 C -0.2416(4) 0.2069(11) 0.1774(5) 0.095(3) Uani 1 1 d . U . . .
C61 C 0.3665(4) 0.2175(11) 0.5905(3) 0.081(3) Uani 1 1 d . . . . .
H43 H 0.3341 0.2688 0.5733 0.121 Uiso 1 1 calc R U . . .
H44 H 0.3633 0.1636 0.6168 0.121 Uiso 1 1 calc R U . . .
H45 H 0.3958 0.2817 0.6043 0.121 Uiso 1 1 calc R U . . .
C62 C -0.1574(5) 0.6774(10) 0.1892(3) 0.089(3) Uani 1 1 d . . . . .
C63 C 0.2600(4) -0.0017(11) 0.1912(3) 0.082(3) Uani 1 1 d . . . . .
H46 H 0.2790 0.0356 0.2241 0.123 Uiso 1 1 calc R U . . .
H47 H 0.2800 -0.0776 0.1856 0.123 Uiso 1 1 calc R U . . .
H48 H 0.2554 0.0704 0.1669 0.123 Uiso 1 1 calc R U . . .
C64 C -0.2922(4) 0.2775(12) 0.1663(4) 0.091(3) Uani 1 1 d . U . . .
H49 H -0.2916 0.3222 0.1959 0.137 Uiso 1 1 calc R U . . .
H50 H -0.2976 0.3467 0.1409 0.137 Uiso 1 1 calc R U . . .
H51 H -0.3207 0.2105 0.1547 0.137 Uiso 1 1 calc R U . . .
C65 C -0.1969(4) 0.4364(10) 0.1852(3) 0.080(3) Uani 1 1 d . . . . .
H21 H -0.2299 0.4708 0.1638 0.096 Uiso 1 1 calc R U . . .
C66 C 0.1760(4) -0.1122(10) 0.1357(3) 0.076(3) Uani 1 1 d . . . . .
H52 H 0.1701 -0.0398 0.1113 0.114 Uiso 1 1 calc R U . . .
H53 H 0.1961 -0.1866 0.1296 0.114 Uiso 1 1 calc R U . . .
H54 H 0.1422 -0.1477 0.1336 0.114 Uiso 1 1 calc R U . . .
C67 C 0.1234(3) 0.4126(10) 0.1316(3) 0.065(2) Uani 1 1 d . . . . .
C68 C -0.1153(7) 0.7074(13) 0.1671(5) 0.139(6) Uani 1 1 d . . . . .
H55 H -0.0809 0.6755 0.1900 0.209 Uiso 1 1 calc R U . . .
H56 H -0.1252 0.6590 0.1360 0.209 Uiso 1 1 calc R U . . .
H57 H -0.1139 0.8061 0.1618 0.209 Uiso 1 1 calc R U . . .
C69 C 0.2551(5) -0.4192(11) 0.5205(4) 0.102(4) Uani 1 1 d . . . . .
H58 H 0.2650 -0.3932 0.5547 0.152 Uiso 1 1 calc R U . . .
H59 H 0.2195 -0.3872 0.5010 0.152 Uiso 1 1 calc R U . . .
H60 H 0.2564 -0.5192 0.5180 0.152 Uiso 1 1 calc R U . . .
C70 C 0.4259(4) 0.0432(13) 0.5808(6) 0.127(5) Uani 1 1 d . . . . .
H61 H 0.4548 0.1076 0.5960 0.190 Uiso 1 1 calc R U . . .
H62 H 0.4220 -0.0141 0.6062 0.190 Uiso 1 1 calc R U . . .
H63 H 0.4332 -0.0151 0.5576 0.190 Uiso 1 1 calc R U . . .
C71 C -0.2385(5) 0.0945(15) 0.2145(8) 0.186(9) Uani 1 1 d . U . . .
H64 H -0.2057 0.0437 0.2234 0.279 Uiso 1 1 calc R U . . .
H65 H -0.2398 0.1365 0.2438 0.279 Uiso 1 1 calc R U . . .
H66 H -0.2681 0.0315 0.2000 0.279 Uiso 1 1 calc R U . . .
C72 C -0.2077(7) 0.7254(14) 0.1548(6) 0.201(11) Uani 1 1 d . . . . .
H67 H -0.2056 0.8234 0.1487 0.301 Uiso 1 1 calc R U . . .
H68 H -0.2176 0.6748 0.1240 0.301 Uiso 1 1 calc R U . . .
H69 H -0.2340 0.7104 0.1683 0.301 Uiso 1 1 calc R U . . .
C73 C 0.3483(5) -0.4050(11) 0.5320(4) 0.104(4) Uani 1 1 d . . . . .
H70 H 0.3588 -0.3744 0.5658 0.155 Uiso 1 1 calc R U . . .
H71 H 0.3489 -0.5053 0.5310 0.155 Uiso 1 1 calc R U . . .
H72 H 0.3727 -0.3681 0.5188 0.155 Uiso 1 1 calc R U . . .
C79 C -0.2436(6) 0.140(2) 0.1318(7) 0.190(9) Uani 1 1 d . U . . .
H73 H -0.2104 0.0928 0.1385 0.285 Uiso 1 1 calc R U . . .
H74 H -0.2723 0.0737 0.1204 0.285 Uiso 1 1 calc R U . . .
H75 H -0.2493 0.2099 0.1066 0.285 Uiso 1 1 calc R U . . .
C81 C 0.9891(12) 0.086(3) 0.9368(9) 0.125(9) Uiso 0.5 1 d D . P A 2
H76 H 1.0241 0.1277 0.9461 0.150 Uiso 0.5 1 calc R U P A 2
H77 H 0.9640 0.1596 0.9354 0.150 Uiso 0.5 1 calc R U P A 2
Cl11 Cl 0.9907(19) -0.034(5) 0.9787(13) 0.55(2) Uiso 0.5 1 d D . P A 2
Cl12 Cl 0.9701(5) 0.0084(13) 0.8805(5) 0.202(4) Uiso 0.5 1 d D . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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
Cl8 Sb1 Cl6 91.01(10) .
Cl8 Sb1 Cl7 92.23(10) .
Cl6 Sb1 Cl7 89.97(9) .
Cl8 Sb1 Cl1 178.14(9) .
Cl6 Sb1 Cl1 88.94(8) .
Cl7 Sb1 Cl1 89.63(8) .
Cl8 Sb1 Cl2 89.41(9) .
Cl6 Sb1 Cl2 90.02(8) .
Cl7 Sb1 Cl2 178.36(8) .
Cl1 Sb1 Cl2 88.73(7) .
Cl8 Sb1 Cl4 90.05(10) .
Cl6 Sb1 Cl4 178.81(7) .
Cl7 Sb1 Cl4 90.53(9) .
Cl1 Sb1 Cl4 89.99(8) .
Cl2 Sb1 Cl4 89.46(8) .
N2 Ni1 N3 90.3(2) .
N2 Ni1 N5 89.6(2) .
N3 Ni1 N5 175.4(3) .
N2 Ni1 N4 174.0(3) .
N3 Ni1 N4 90.0(2) .
N5 Ni1 N4 90.6(2) .
C45 N1 C7 119.5(6) .
C45 N1 C15 119.6(6) .
C7 N1 C15 120.9(5) .
C32 N2 C16 104.6(6) .
C32 N2 Ni1 127.0(4) .
C16 N2 Ni1 127.9(5) .
N5 C1 C45 125.3(6) .
N5 C1 C23 112.9(6) .
C45 C1 C23 121.2(6) .
C13 N3 C5 104.5(6) .
C13 N3 Ni1 128.3(4) .
C5 N3 Ni1 126.9(5) .
C11 N4 C3 104.3(5) .
C11 N4 Ni1 127.0(5) .
C3 N4 Ni1 128.4(4) .
C1 N5 C2 104.5(5) .
C1 N5 Ni1 126.7(5) .
C2 N5 Ni1 128.4(4) .
N5 C2 C41 124.4(6) .
N5 C2 C19 109.7(6) .
C41 C2 C19 125.8(7) .
C43 C3 N4 123.8(6) .
C43 C3 C24 127.5(7) .
N4 C3 C24 108.4(6) .
C26 C4 C22 120.6(7) .
N3 C5 C42 125.9(7) .
N3 C5 C20 109.4(6) .
C42 C5 C20 124.4(6) .
C7 C6 C25 119.4(7) .
C7 C6 C23 116.8(6) .
C25 C6 C23 123.5(7) .
C6 C7 C37 118.4(7) .
C6 C7 N1 120.2(6) .
C37 C7 N1 121.3(7) .
C24 C8 C11 104.9(5) .
C24 C8 C18 135.5(6) .
C11 C8 C18 119.5(6) .
C28 C9 C30 119.3(7) .
C28 C9 C41 119.5(7) .
C30 C9 C41 121.1(7) .
C20 C10 C13 107.3(7) .
N4 C11 C8 113.1(6) .
N4 C11 C45 125.0(6) .
C8 C11 C45 121.8(6) .
C21 C12 C33 120.7(7) .
N3 C13 C10 111.2(6) .
N3 C13 C43 125.5(6) .
C10 C13 C43 123.2(7) .
C31 C14 C32 108.7(7) .
C18 C15 C26 119.0(6) .
C18 C15 N1 120.2(6) .
C26 C15 N1 120.8(7) .
C42 C16 N2 125.3(6) .
C42 C16 C31 124.0(6) .
N2 C16 C31 110.7(6) .
C39 C17 C50 120.9(8) .
C15 C18 C36 117.9(6) .
C15 C18 C8 117.5(6) .
C36 C18 C8 124.5(6) .
C23 C19 C2 107.7(6) .
C23 C19 Cl3 123.7(5) .
C2 C19 Cl3 128.6(5) .
C10 C20 C5 107.4(6) .
C12 C21 C47 118.2(8) .
C12 C21 C56 118.8(7) .
C47 C21 C56 123.0(7) .
C36 C22 C4 119.3(7) .
C19 C23 C1 105.1(6) .
C19 C23 C6 135.6(7) .
C1 C23 C6 119.0(6) .
C8 C24 C3 109.4(6) .
C8 C24 Cl5 125.5(5) .
C3 C24 Cl5 125.0(6) .
C34 C25 C6 120.1(8) .
C4 C26 C15 120.3(7) .
C35 C27 C33 121.2(8) .
C9 C28 C38 121.6(8) .
C54 C29 C40 117.5(7) .
C54 C29 C67 121.0(7) .
C40 C29 C67 121.4(8) .
C46 C30 C9 120.8(8) .
C14 C31 C16 106.6(6) .
N2 C32 C41 127.3(7) .
N2 C32 C14 109.3(6) .
C41 C32 C14 122.9(7) .
C12 C33 C27 119.7(7) .
C12 C33 C43 119.5(7) .
C27 C33 C43 120.6(7) .
C25 C34 C48 120.4(8) .
C47 C35 C27 117.0(7) .
C47 C35 C51 123.5(7) .
C27 C35 C51 119.5(8) .
C22 C36 C18 122.3(7) .
C48 C37 C7 120.8(7) .
C65 C38 C28 115.9(8) .
C65 C38 C62 126.1(8) .
C28 C38 C62 118.0(8) .
C17 C39 C40 121.0(7) .
C17 C39 C42 120.0(7) .
C40 C39 C42 119.0(7) .
C39 C40 C29 120.2(8) .
C32 C41 C2 121.0(7) .
C32 C41 C9 117.8(6) .
C2 C41 C9 121.0(6) .
C16 C42 C5 121.8(6) .
C16 C42 C39 119.6(7) .
C5 C42 C39 118.5(7) .
C3 C43 C13 122.2(7) .
C3 C43 C33 123.4(6) .
C13 C43 C33 114.4(6) .
C1 C45 N1 118.7(6) .
C1 C45 C11 122.9(6) .
N1 C45 C11 118.4(6) .
C30 C46 C65 118.0(8) .
C30 C46 C60 120.7(9) .
C65 C46 C60 121.2(8) .
C35 C47 C21 123.2(7) .
C37 C48 C34 120.2(7) .
C66 C49 C59 111.0(8) .
C66 C49 C50 108.7(7) .
C59 C49 C50 111.7(6) .
C66 C49 C63 110.4(6) .
C59 C49 C63 106.8(8) .
C50 C49 C63 108.2(8) .
C17 C50 C54 115.8(8) .
C17 C50 C49 122.9(8) .
C54 C50 C49 121.2(7) .
C70 C51 C35 113.0(8) .
C70 C51 C61 109.3(9) .
C35 C51 C61 110.0(7) .
C70 C51 C53 107.6(9) .
C35 C51 C53 107.4(7) .
C61 C51 C53 109.5(8) .
C29 C54 C50 124.5(7) .
C55 C56 C73 111.4(8) .
C55 C56 C69 106.2(8) .
C73 C56 C69 108.7(8) .
C55 C56 C21 109.1(7) .
C73 C56 C21 111.9(8) .
C69 C56 C21 109.4(7) .
C64 C60 C79 108.3(11) .
C64 C60 C46 114.4(9) .
C79 C60 C46 109.2(10) .
C64 C60 C71 105.6(10) .
C79 C60 C71 108.5(13) .
C46 C60 C71 110.7(10) .
C72 C62 C38 114.6(10) .
C72 C62 C57 111.3(11) .
C38 C62 C57 109.4(8) .
C72 C62 C68 108.3(12) .
C38 C62 C68 108.9(9) .
C57 C62 C68 103.8(9) .
C46 C65 C38 124.2(8) .
C58 C67 C44 109.9(10) .
C58 C67 C29 112.5(9) .
C44 C67 C29 113.8(7) .
C58 C67 C52 107.9(10) .
C44 C67 C52 102.9(10) .
C29 C67 C52 109.2(8) .
Cl11 C81 Cl12 109(2) .
Cl11 Cl11 C81 104(5) 3_757
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 Cl8 2.348(2) .
Sb1 Cl6 2.356(3) .
Sb1 Cl7 2.358(2) .
Sb1 Cl1 2.365(2) .
Sb1 Cl2 2.367(2) .
Sb1 Cl4 2.368(2) .
Ni1 N2 1.927(5) .
Ni1 N3 1.929(6) .
Ni1 N5 1.954(6) .
Ni1 N4 1.959(5) .
Cl3 C19 1.720(7) .
Cl5 C24 1.732(7) .
N1 C45 1.388(8) .
N1 C7 1.419(9) .
N1 C15 1.424(9) .
N2 C32 1.371(10) .
N2 C16 1.381(8) .
C1 N5 1.365(8) .
C1 C45 1.382(9) .
C1 C23 1.401(10) .
N3 C13 1.377(9) .
N3 C5 1.378(8) .
N4 C11 1.369(8) .
N4 C3 1.398(9) .
N5 C2 1.383(9) .
C2 C41 1.394(9) .
C2 C19 1.420(10) .
C3 C43 1.389(10) .
C3 C24 1.413(9) .
C4 C26 1.375(10) .
C4 C22 1.377(11) .
C5 C42 1.381(10) .
C5 C20 1.437(11) .
C6 C7 1.395(10) .
C6 C25 1.422(11) .
C6 C23 1.457(9) .
C7 C37 1.415(10) .
C8 C24 1.357(10) .
C8 C11 1.393(9) .
C8 C18 1.445(9) .
C9 C28 1.367(11) .
C9 C30 1.384(11) .
C9 C41 1.484(11) .
C10 C20 1.329(11) .
C10 C13 1.406(10) .
C11 C45 1.395(10) .
C12 C21 1.372(11) .
C12 C33 1.393(11) .
C13 C43 1.409(10) .
C14 C31 1.308(10) .
C14 C32 1.437(10) .
C15 C18 1.401(10) .
C15 C26 1.407(9) .
C16 C42 1.365(11) .
C16 C31 1.428(10) .
C17 C39 1.369(11) .
C17 C50 1.406(10) .
C18 C36 1.404(10) .
C19 C23 1.375(10) .
C21 C47 1.413(11) .
C21 C56 1.539(12) .
C22 C36 1.360(10) .
C25 C34 1.361(11) .
C27 C35 1.398(11) .
C27 C33 1.401(11) .
C28 C38 1.396(12) .
C29 C54 1.361(12) .
C29 C40 1.397(10) .
C29 C67 1.529(12) .
C30 C46 1.361(11) .
C32 C41 1.372(10) .
C33 C43 1.477(10) .
C34 C48 1.396(11) .
C35 C47 1.381(11) .
C35 C51 1.517(12) .
C37 C48 1.362(11) .
C38 C65 1.371(13) .
C38 C62 1.522(13) .
C39 C40 1.387(11) .
C39 C42 1.500(9) .
C44 C67 1.510(15) .
C46 C65 1.365(13) .
C46 C60 1.537(13) .
C49 C66 1.515(13) .
C49 C59 1.531(12) .
C49 C50 1.533(13) .
C49 C63 1.543(13) .
C50 C54 1.407(12) .
C51 C70 1.498(14) .
C51 C61 1.531(14) .
C51 C53 1.549(13) .
C52 C67 1.547(14) .
C55 C56 1.526(12) .
C56 C73 1.529(13) .
C56 C69 1.531(12) .
C57 C62 1.534(13) .
C58 C67 1.441(14) .
C60 C64 1.483(14) .
C60 C79 1.490(19) .
C60 C71 1.537(19) .
C62 C72 1.447(17) .
C62 C68 1.584(19) .
C81 Cl11 1.70(3) .
C81 Cl12 1.72(2) .
Cl11 Cl11 1.34(8) 3_757
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_4
C45 C1 N5 C2 168.0(7) .
C23 C1 N5 C2 -2.7(8) .
C45 C1 N5 Ni1 -18.0(10) .
C23 C1 N5 Ni1 171.3(5) .
C1 N5 C2 C41 -175.6(7) .
Ni1 N5 C2 C41 10.5(10) .
C1 N5 C2 C19 1.7(8) .
Ni1 N5 C2 C19 -172.1(5) .
C11 N4 C3 C43 -172.1(7) .
Ni1 N4 C3 C43 14.3(11) .
C11 N4 C3 C24 1.8(8) .
Ni1 N4 C3 C24 -171.8(5) .
C13 N3 C5 C42 170.6(8) .
Ni1 N3 C5 C42 -15.2(11) .
C13 N3 C5 C20 -3.4(8) .
Ni1 N3 C5 C20 170.8(5) .
C25 C6 C7 C37 -7.7(11) .
C23 C6 C7 C37 166.5(7) .
C25 C6 C7 N1 176.3(7) .
C23 C6 C7 N1 -9.5(11) .
C45 N1 C7 C6 23.1(10) .
C15 N1 C7 C6 -156.5(7) .
C45 N1 C7 C37 -152.8(7) .
C15 N1 C7 C37 27.6(10) .
C3 N4 C11 C8 -1.7(8) .
Ni1 N4 C11 C8 172.0(5) .
C3 N4 C11 C45 173.5(7) .
Ni1 N4 C11 C45 -12.8(10) .
C24 C8 C11 N4 0.9(9) .
C18 C8 C11 N4 -176.5(6) .
C24 C8 C11 C45 -174.5(7) .
C18 C8 C11 C45 8.2(11) .
C5 N3 C13 C10 2.7(9) .
Ni1 N3 C13 C10 -171.4(6) .
C5 N3 C13 C43 -173.4(8) .
Ni1 N3 C13 C43 12.4(12) .
C20 C10 C13 N3 -1.0(10) .
C20 C10 C13 C43 175.3(8) .
C45 N1 C15 C18 19.7(10) .
C7 N1 C15 C18 -160.7(7) .
C45 N1 C15 C26 -157.4(7) .
C7 N1 C15 C26 22.1(10) .
C32 N2 C16 C42 175.5(8) .
Ni1 N2 C16 C42 -12.5(11) .
C32 N2 C16 C31 -2.9(8) .
Ni1 N2 C16 C31 169.1(5) .
C26 C15 C18 C36 -7.2(11) .
N1 C15 C18 C36 175.6(7) .
C26 C15 C18 C8 169.4(7) .
N1 C15 C18 C8 -7.8(10) .
C24 C8 C18 C15 177.9(8) .
C11 C8 C18 C15 -5.8(11) .
C24 C8 C18 C36 -5.7(14) .
C11 C8 C18 C36 170.6(7) .
N5 C2 C19 C23 -0.2(9) .
C41 C2 C19 C23 177.1(7) .
N5 C2 C19 Cl3 -179.5(6) .
C41 C2 C19 Cl3 -2.2(12) .
C13 C10 C20 C5 -1.2(10) .
N3 C5 C20 C10 3.0(10) .
C42 C5 C20 C10 -171.1(8) .
C33 C12 C21 C47 -1.8(10) .
C33 C12 C21 C56 179.2(6) .
C26 C4 C22 C36 -4.3(12) .
C2 C19 C23 C1 -1.4(8) .
Cl3 C19 C23 C1 178.0(6) .
C2 C19 C23 C6 173.1(8) .
Cl3 C19 C23 C6 -7.5(14) .
N5 C1 C23 C19 2.7(9) .
C45 C1 C23 C19 -168.5(7) .
N5 C1 C23 C6 -173.0(6) .
C45 C1 C23 C6 15.8(11) .
C7 C6 C23 C19 176.6(8) .
C25 C6 C23 C19 -9.5(14) .
C7 C6 C23 C1 -9.4(11) .
C25 C6 C23 C1 164.5(7) .
C11 C8 C24 C3 0.4(9) .
C18 C8 C24 C3 177.0(8) .
C11 C8 C24 Cl5 -175.8(6) .
C18 C8 C24 Cl5 0.8(14) .
C43 C3 C24 C8 172.3(8) .
N4 C3 C24 C8 -1.4(9) .
C43 C3 C24 Cl5 -11.5(12) .
N4 C3 C24 Cl5 174.8(5) .
C7 C6 C25 C34 1.8(12) .
C23 C6 C25 C34 -171.9(8) .
C22 C4 C26 C15 -3.3(11) .
C18 C15 C26 C4 9.1(11) .
N1 C15 C26 C4 -173.8(7) .
C30 C9 C28 C38 2.4(11) .
C41 C9 C28 C38 -174.8(7) .
C28 C9 C30 C46 -0.8(11) .
C41 C9 C30 C46 176.4(7) .
C32 C14 C31 C16 -1.0(9) .
C42 C16 C31 C14 -175.9(8) .
N2 C16 C31 C14 2.5(9) .
C16 N2 C32 C41 -169.6(8) .
Ni1 N2 C32 C41 18.3(11) .
C16 N2 C32 C14 2.3(8) .
Ni1 N2 C32 C14 -169.9(5) .
C31 C14 C32 N2 -0.8(9) .
C31 C14 C32 C41 171.5(8) .
C21 C12 C33 C27 1.1(10) .
C21 C12 C33 C43 176.5(6) .
C35 C27 C33 C12 1.6(10) .
C35 C27 C33 C43 -173.7(6) .
C6 C25 C34 C48 3.4(12) .
C33 C27 C35 C47 -3.4(10) .
C33 C27 C35 C51 175.2(7) .
C4 C22 C36 C18 6.0(12) .
C15 C18 C36 C22 -0.2(11) .
C8 C18 C36 C22 -176.6(7) .
C6 C7 C37 C48 8.6(11) .
N1 C7 C37 C48 -175.4(7) .
C9 C28 C38 C65 -1.4(12) .
C9 C28 C38 C62 177.1(8) .
C50 C17 C39 C40 1.4(13) .
C50 C17 C39 C42 178.6(8) .
C17 C39 C40 C29 0.1(12) .
C42 C39 C40 C29 -177.1(8) .
C54 C29 C40 C39 -1.3(13) .
C67 C29 C40 C39 178.1(8) .
N2 C32 C41 C2 -8.6(12) .
C14 C32 C41 C2 -179.4(7) .
N2 C32 C41 C9 166.0(7) .
C14 C32 C41 C9 -4.8(11) .
N5 C2 C41 C32 -6.2(11) .
C19 C2 C41 C32 176.9(7) .
N5 C2 C41 C9 179.4(7) .
C19 C2 C41 C9 2.5(11) .
C28 C9 C41 C32 -85.9(9) .
C30 C9 C41 C32 96.8(9) .
C28 C9 C41 C2 88.7(9) .
C30 C9 C41 C2 -88.5(9) .
N2 C16 C42 C5 8.9(13) .
C31 C16 C42 C5 -172.9(8) .
N2 C16 C42 C39 -171.9(7) .
C31 C16 C42 C39 6.3(12) .
N3 C5 C42 C16 5.3(13) .
C20 C5 C42 C16 178.4(8) .
N3 C5 C42 C39 -173.9(7) .
C20 C5 C42 C39 -0.8(12) .
C17 C39 C42 C16 -121.9(9) .
C40 C39 C42 C16 55.3(11) .
C17 C39 C42 C5 57.2(11) .
C40 C39 C42 C5 -125.5(8) .
N4 C3 C43 C13 -4.7(12) .
C24 C3 C43 C13 -177.5(8) .
N4 C3 C43 C33 179.1(7) .
C24 C3 C43 C33 6.3(13) .
N3 C13 C43 C3 -8.8(13) .
C10 C13 C43 C3 175.5(8) .
N3 C13 C43 C33 167.7(7) .
C10 C13 C43 C33 -8.0(12) .
C12 C33 C43 C3 85.3(9) .
C27 C33 C43 C3 -99.4(9) .
C12 C33 C43 C13 -91.2(9) .
C27 C33 C43 C13 84.1(9) .
N5 C1 C45 N1 -172.6(7) .
C23 C1 C45 N1 -2.6(10) .
N5 C1 C45 C11 7.5(11) .
C23 C1 C45 C11 177.5(7) .
C7 N1 C45 C1 -16.7(10) .
C15 N1 C45 C1 162.9(6) .
C7 N1 C45 C11 163.1(6) .
C15 N1 C45 C11 -17.3(10) .
N4 C11 C45 C1 8.5(11) .
C8 C11 C45 C1 -176.7(7) .
N4 C11 C45 N1 -171.3(6) .
C8 C11 C45 N1 3.5(10) .
C9 C30 C46 C65 -1.8(13) .
C9 C30 C46 C60 -179.1(8) .
C27 C35 C47 C21 2.6(11) .
C51 C35 C47 C21 -175.9(7) .
C12 C21 C47 C35 0.0(10) .
C56 C21 C47 C35 178.9(7) .
C7 C37 C48 C34 -3.5(12) .
C25 C34 C48 C37 -2.6(12) .
C39 C17 C50 C54 -1.6(13) .
C39 C17 C50 C49 179.0(8) .
C66 C49 C50 C17 120.3(9) .
C59 C49 C50 C17 -2.5(13) .
C63 C49 C50 C17 -119.8(9) .
C66 C49 C50 C54 -59.2(11) .
C59 C49 C50 C54 178.0(9) .
C63 C49 C50 C54 60.8(11) .
C47 C35 C51 C70 -4.4(13) .
C27 C35 C51 C70 177.1(9) .
C47 C35 C51 C61 -126.8(8) .
C27 C35 C51 C61 54.7(10) .
C47 C35 C51 C53 114.1(9) .
C27 C35 C51 C53 -64.4(10) .
C40 C29 C54 C50 1.1(14) .
C67 C29 C54 C50 -178.3(9) .
C17 C50 C54 C29 0.3(14) .
C49 C50 C54 C29 179.8(9) .
C12 C21 C56 C55 57.7(9) .
C47 C21 C56 C55 -121.2(8) .
C12 C21 C56 C73 -178.6(8) .
C47 C21 C56 C73 2.5(11) .
C12 C21 C56 C69 -58.0(9) .
C47 C21 C56 C69 123.1(8) .
C30 C46 C60 C64 148.0(10) .
C65 C46 C60 C64 -29.2(15) .
C30 C46 C60 C79 -90.5(14) .
C65 C46 C60 C79 92.3(14) .
C30 C46 C60 C71 28.9(15) .
C65 C46 C60 C71 -148.3(12) .
C65 C38 C62 C72 -2.8(18) .
C28 C38 C62 C72 178.8(13) .
C65 C38 C62 C57 122.9(11) .
C28 C38 C62 C57 -55.5(13) .
C65 C38 C62 C68 -124.4(12) .
C28 C38 C62 C68 57.3(11) .
C30 C46 C65 C38 2.9(15) .
C60 C46 C65 C38 -179.8(10) .
C28 C38 C65 C46 -1.4(14) .
C62 C38 C65 C46 -179.7(10) .
C54 C29 C67 C58 -55.1(14) .
C40 C29 C67 C58 125.5(11) .
C54 C29 C67 C44 179.1(10) .
C40 C29 C67 C44 -0.3(13) .
C54 C29 C67 C52 64.7(12) .
C40 C29 C67 C52 -114.7(10) .
Cl12 C81 Cl11 Cl11 176(4) 3_757
