#------------------------------------------------------------------------------
#$Date: 2018-09-09 05:31:04 +0300 (Sun, 09 Sep 2018) $
#$Revision: 210616 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/36/7103662.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_7103662
loop_
_publ_author_name
'Jiménez-Tenorio, Manuel'
'Puerta, M. Carmen'
'Salcedo, Isabel'
'Valerga, Pedro'
'Costa, Sandra I.'
'Gomes, Pedro T.'
'Mereiter, Kurt'
_publ_section_title
;
 [Ni(η3-CH2C(CH3)CH2)(SbPh3)3][BAr'4]: an extremely active cationic
 allyl nickel--stibine catalyst for the oligomerization of styrene
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   10
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              1168
_journal_page_last               1169
_journal_paper_doi               10.1039/b302553e
_journal_year                    2003
_chemical_formula_moiety         'C58 H52 Ni Sb3 1+,  C32 H12 B F24 1-'
_chemical_formula_sum            'C90 H64 B F24 Ni Sb3'
_chemical_formula_weight         2036.18
_chemical_name_common            '[Ni(eta3-CH2C(Me)CH2)(SbPh3)3].[B(Ph(CF3)2)4]'
_chemical_name_systematic
;
(trihapto-2-methyl-allyl)-tris(triphenylstibine)-nickel (II) 
tetrakis(3,5-bis(trifluoromethyl)phenyl) borate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.201(3)
_cell_angle_beta                 106.500(3)
_cell_angle_gamma                98.886(3)
_cell_formula_units_Z            2
_cell_length_a                   14.075(3)
_cell_length_b                   17.525(3)
_cell_length_c                   18.742(3)
_cell_measurement_reflns_used    988
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      27.0
_cell_measurement_theta_min      2.4
_cell_volume                     4355.1(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type
'BRUKER SMART 3-circle with CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0261
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            50300
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.228
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.77
_exptl_absorpt_correction_type   'semi-empirical from equivalents (SADABS)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2012
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.35
_refine_diff_density_max         2.359
_refine_diff_density_min         -0.976
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       0.00189(8)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1144
_refine_ls_number_reflns         18811
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0738
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[σ²(Fo²)+(0.0140P)²+13.4467P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.1079
_reflns_number_gt                14082
_reflns_number_total             18811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302553e.txt
_cod_data_source_block           672pv3fr
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103662
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni 0.60407(4) 0.13771(3) 0.35799(3) 0.04147(14) Uani 1 1 d . . .
Sb1 Sb 0.74191(2) 0.23670(2) 0.338557(17) 0.04597(9) Uani 1 1 d . . .
Sb2 Sb 0.47282(2) 0.220970(19) 0.357174(19) 0.04788(9) Uani 1 1 d . . .
Sb3 Sb 0.51420(2) 0.048079(18) 0.236837(17) 0.04295(9) Uani 1 1 d . . .
C1 C 0.5459(6) 0.0412(5) 0.4154(5) 0.110(3) Uani 1 1 d . . .
H1A H 0.4892 0.0471 0.4336 0.132 Uiso 1 1 calc R . .
H1B H 0.5455 -0.0114 0.3961 0.132 Uiso 1 1 calc R . .
C2 C 0.6363(4) 0.0853(3) 0.4527(3) 0.0581(13) Uani 1 1 d . . .
C3 C 0.7143(4) 0.0817(3) 0.4204(3) 0.0618(14) Uani 1 1 d . . .
H3A H 0.7186 0.0310 0.3992 0.074 Uiso 1 1 calc R . .
H3B H 0.7792 0.1135 0.4462 0.074 Uiso 1 1 calc R . .
C4 C 0.6458(7) 0.1382(6) 0.5187(7) 0.160(5) Uani 1 1 d . . .
H4A H 0.6612 0.1111 0.5625 0.240 Uiso 1 1 calc R . .
H4B H 0.5836 0.1566 0.5132 0.240 Uiso 1 1 calc R . .
H4C H 0.6989 0.1815 0.5235 0.240 Uiso 1 1 calc R . .
C5 C 0.7211(4) 0.3153(3) 0.2552(3) 0.0530(12) Uani 1 1 d . . .
C6 C 0.6545(4) 0.3656(4) 0.2525(3) 0.0701(16) Uani 1 1 d . . .
H6 H 0.6164 0.3634 0.2858 0.084 Uiso 1 1 calc R . .
C7 C 0.6437(5) 0.4195(4) 0.2008(4) 0.0843(19) Uani 1 1 d . . .
H7 H 0.5986 0.4533 0.1997 0.101 Uiso 1 1 calc R . .
C8 C 0.6987(5) 0.4230(4) 0.1517(4) 0.085(2) Uani 1 1 d . . .
H8 H 0.6912 0.4592 0.1170 0.102 Uiso 1 1 calc R . .
C9 C 0.7649(6) 0.3733(5) 0.1531(4) 0.091(2) Uani 1 1 d . . .
H9 H 0.8024 0.3757 0.1193 0.109 Uiso 1 1 calc R . .
C10 C 0.7762(5) 0.3194(4) 0.2048(3) 0.0728(16) Uani 1 1 d . . .
H10 H 0.8213 0.2856 0.2055 0.087 Uiso 1 1 calc R . .
C11 C 0.8654(4) 0.1907(3) 0.3193(3) 0.0599(13) Uani 1 1 d . . .
C12 C 0.8495(5) 0.1365(4) 0.2596(4) 0.093(2) Uani 1 1 d . . .
H12 H 0.7849 0.1202 0.2272 0.112 Uiso 1 1 calc R . .
C13 C 0.9298(7) 0.1058(5) 0.2472(5) 0.115(3) Uani 1 1 d . . .
H13 H 0.9187 0.0685 0.2070 0.138 Uiso 1 1 calc R . .
C14 C 1.0241(7) 0.1306(5) 0.2940(6) 0.112(3) Uani 1 1 d . . .
H14 H 1.0775 0.1095 0.2863 0.134 Uiso 1 1 calc R . .
C15 C 1.0411(6) 0.1852(6) 0.3515(5) 0.117(3) Uani 1 1 d . . .
H15 H 1.1064 0.2025 0.3826 0.140 Uiso 1 1 calc R . .
C16 C 0.9623(5) 0.2160(4) 0.3646(4) 0.084(2) Uani 1 1 d . . .
H16 H 0.9748 0.2540 0.4044 0.101 Uiso 1 1 calc R . .
C17 C 0.8222(3) 0.3178(3) 0.4353(3) 0.0479(11) Uani 1 1 d . . .
C18 C 0.8561(4) 0.2917(3) 0.5042(3) 0.0612(14) Uani 1 1 d . . .
H18 H 0.8468 0.2386 0.5085 0.073 Uiso 1 1 calc R . .
C19 C 0.9038(4) 0.3435(4) 0.5671(3) 0.0699(16) Uani 1 1 d . . .
H19 H 0.9259 0.3255 0.6137 0.084 Uiso 1 1 calc R . .
C20 C 0.9182(5) 0.4209(4) 0.5604(3) 0.0775(18) Uani 1 1 d . . .
H20 H 0.9505 0.4560 0.6026 0.093 Uiso 1 1 calc R . .
C21 C 0.8855(5) 0.4475(4) 0.4922(4) 0.0838(19) Uani 1 1 d . . .
H21 H 0.8957 0.5006 0.4882 0.101 Uiso 1 1 calc R . .
C22 C 0.8374(5) 0.3960(3) 0.4289(3) 0.0677(15) Uani 1 1 d . . .
H22 H 0.8156 0.4142 0.3824 0.081 Uiso 1 1 calc R . .
C23 C 0.3656(4) 0.2330(3) 0.2543(3) 0.0554(12) Uani 1 1 d . . .
C24 C 0.2661(5) 0.2350(4) 0.2491(4) 0.0753(17) Uani 1 1 d . . .
H24 H 0.2435 0.2296 0.2909 0.090 Uiso 1 1 calc R . .
C25 C 0.1999(6) 0.2452(4) 0.1807(5) 0.097(2) Uani 1 1 d . . .
H25 H 0.1328 0.2466 0.1768 0.116 Uiso 1 1 calc R . .
C26 C 0.2333(7) 0.2530(5) 0.1194(5) 0.105(3) Uani 1 1 d . . .
H26 H 0.1887 0.2600 0.0740 0.126 Uiso 1 1 calc R . .
C27 C 0.3313(7) 0.2506(4) 0.1236(4) 0.096(2) Uani 1 1 d . . .
H27 H 0.3532 0.2555 0.0814 0.115 Uiso 1 1 calc R . .
C28 C 0.3980(5) 0.2408(3) 0.1917(3) 0.0692(15) Uani 1 1 d . . .
H28 H 0.4649 0.2396 0.1951 0.083 Uiso 1 1 calc R . .
C29 C 0.5184(4) 0.3413(3) 0.3994(3) 0.0567(13) Uani 1 1 d . . .
C30 C 0.4719(5) 0.3970(4) 0.3618(4) 0.0772(17) Uani 1 1 d . . .
H30 H 0.4178 0.3826 0.3188 0.093 Uiso 1 1 calc R . .
C31 C 0.5062(7) 0.4748(4) 0.3884(6) 0.100(3) Uani 1 1 d . . .
H31 H 0.4739 0.5122 0.3631 0.120 Uiso 1 1 calc R . .
C32 C 0.5863(7) 0.4975(5) 0.4509(6) 0.109(3) Uani 1 1 d . . .
H32 H 0.6100 0.5499 0.4672 0.131 Uiso 1 1 calc R . .
C33 C 0.6309(6) 0.4424(5) 0.4892(5) 0.094(2) Uani 1 1 d . . .
H33 H 0.6832 0.4573 0.5333 0.113 Uiso 1 1 calc R . .
C34 C 0.5993(5) 0.3643(4) 0.4631(4) 0.0707(16) Uani 1 1 d . . .
H34 H 0.6325 0.3274 0.4885 0.085 Uiso 1 1 calc R . .
C35 C 0.3791(4) 0.1814(3) 0.4245(3) 0.0526(12) Uani 1 1 d . . .
C36 C 0.3942(5) 0.2177(4) 0.4952(4) 0.0753(17) Uani 1 1 d . . .
H36 H 0.4401 0.2639 0.5114 0.090 Uiso 1 1 calc R . .
C37 C 0.3419(6) 0.1865(5) 0.5421(4) 0.091(2) Uani 1 1 d . . .
H37 H 0.3542 0.2104 0.5902 0.109 Uiso 1 1 calc R . .
C38 C 0.2716(6) 0.1199(4) 0.5169(5) 0.091(2) Uani 1 1 d . . .
H38 H 0.2353 0.0992 0.5478 0.109 Uiso 1 1 calc R . .
C39 C 0.2544(5) 0.0835(4) 0.4465(5) 0.086(2) Uani 1 1 d . . .
H39 H 0.2067 0.0382 0.4299 0.103 Uiso 1 1 calc R . .
C40 C 0.3083(4) 0.1144(3) 0.4003(4) 0.0662(15) Uani 1 1 d . . .
H40 H 0.2967 0.0898 0.3526 0.079 Uiso 1 1 calc R . .
C41 C 0.4960(4) 0.0785(3) 0.1262(3) 0.0510(12) Uani 1 1 d . . .
C42 C 0.5576(5) 0.1425(4) 0.1146(4) 0.0748(17) Uani 1 1 d . . .
H42 H 0.6084 0.1708 0.1547 0.090 Uiso 1 1 calc R . .
C43 C 0.5440(8) 0.1650(5) 0.0428(5) 0.110(3) Uani 1 1 d . . .
H43 H 0.5844 0.2090 0.0350 0.132 Uiso 1 1 calc R . .
C44 C 0.4711(9) 0.1222(7) -0.0160(5) 0.118(4) Uani 1 1 d . . .
H44 H 0.4621 0.1374 -0.0639 0.142 Uiso 1 1 calc R . .
C45 C 0.4115(6) 0.0579(6) -0.0057(4) 0.098(3) Uani 1 1 d . . .
H45 H 0.3628 0.0288 -0.0465 0.118 Uiso 1 1 calc R . .
C46 C 0.4231(4) 0.0355(4) 0.0653(3) 0.0712(17) Uani 1 1 d . . .
H46 H 0.3819 -0.0085 0.0723 0.085 Uiso 1 1 calc R . .
C47 C 0.3599(3) 0.0041(3) 0.2294(3) 0.0440(10) Uani 1 1 d . . .
C48 C 0.2843(4) 0.0386(3) 0.1861(3) 0.0501(11) Uani 1 1 d . . .
H48 H 0.3000 0.0777 0.1575 0.060 Uiso 1 1 calc R . .
C49 C 0.1853(4) 0.0149(3) 0.1853(3) 0.0605(14) Uani 1 1 d . . .
H49 H 0.1348 0.0384 0.1564 0.073 Uiso 1 1 calc R . .
C50 C 0.1612(4) -0.0428(4) 0.2267(3) 0.0672(15) Uani 1 1 d . . .
H50 H 0.0946 -0.0583 0.2259 0.081 Uiso 1 1 calc R . .
C51 C 0.2352(4) -0.0781(3) 0.2696(3) 0.0637(14) Uani 1 1 d . . .
H51 H 0.2187 -0.1176 0.2974 0.076 Uiso 1 1 calc R . .
C52 C 0.3349(4) -0.0545(3) 0.2713(3) 0.0534(12) Uani 1 1 d . . .
H52 H 0.3851 -0.0780 0.3006 0.064 Uiso 1 1 calc R . .
C53 C 0.5674(4) -0.0594(3) 0.2309(3) 0.0513(12) Uani 1 1 d . . .
C54 C 0.5063(5) -0.1306(3) 0.2096(4) 0.0769(18) Uani 1 1 d . . .
H54 H 0.4368 -0.1342 0.1966 0.092 Uiso 1 1 calc R . .
C55 C 0.5474(8) -0.1978(4) 0.2072(5) 0.105(3) Uani 1 1 d . . .
H55 H 0.5055 -0.2461 0.1937 0.126 Uiso 1 1 calc R . .
C56 C 0.6490(9) -0.1927(6) 0.2247(5) 0.114(3) Uani 1 1 d . . .
H56 H 0.6765 -0.2375 0.2236 0.137 Uiso 1 1 calc R . .
C57 C 0.7098(7) -0.1228(6) 0.2437(5) 0.118(3) Uani 1 1 d . . .
H57 H 0.7791 -0.1196 0.2542 0.141 Uiso 1 1 calc R . .
C58 C 0.6699(5) -0.0553(4) 0.2479(4) 0.0803(19) Uani 1 1 d . . .
H58 H 0.7127 -0.0075 0.2623 0.096 Uiso 1 1 calc R . .
B B 0.9535(4) 0.6759(3) 0.1759(3) 0.0416(11) Uani 1 1 d . . .
C59 C 0.8560(3) 0.6232(3) 0.1136(2) 0.0437(10) Uani 1 1 d . . .
C60 C 0.7590(4) 0.6383(3) 0.1038(3) 0.0474(11) Uani 1 1 d . . .
H60 H 0.7487 0.6737 0.1385 0.057 Uiso 1 1 calc R . .
C61 C 0.6769(4) 0.6028(3) 0.0445(3) 0.0573(13) Uani 1 1 d . . .
C62 C 0.6897(4) 0.5508(3) -0.0088(3) 0.0633(14) Uani 1 1 d . . .
H62 H 0.6354 0.5272 -0.0492 0.076 Uiso 1 1 calc R . .
C63 C 0.7846(5) 0.5350(3) -0.0007(3) 0.0642(14) Uani 1 1 d . A .
C64 C 0.8659(4) 0.5697(3) 0.0589(3) 0.0531(12) Uani 1 1 d . . .
H64 H 0.9289 0.5572 0.0628 0.064 Uiso 1 1 calc R . .
C65 C 0.5760(5) 0.6211(4) 0.0398(4) 0.0781(18) Uani 1 1 d . . .
C66 C 0.8013(7) 0.4774(6) -0.0571(5) 0.102(3) Uani 1 1 d . . .
C67 C 0.9857(3) 0.7468(3) 0.1288(2) 0.0427(10) Uani 1 1 d . . .
C68 C 0.9298(4) 0.8062(3) 0.1153(3) 0.0478(11) Uani 1 1 d . . .
H68 H 0.8797 0.8083 0.1384 0.057 Uiso 1 1 calc R . .
C69 C 0.9459(4) 0.8625(3) 0.0687(3) 0.0515(12) Uani 1 1 d . B .
C70 C 1.0202(4) 0.8614(3) 0.0340(3) 0.0632(14) Uani 1 1 d . . .
H70 H 1.0319 0.8992 0.0031 0.076 Uiso 1 1 calc R . .
C71 C 1.0766(5) 0.8034(3) 0.0459(3) 0.0644(15) Uani 1 1 d . C .
C72 C 1.0589(4) 0.7470(3) 0.0918(3) 0.0541(12) Uani 1 1 d . . .
H72 H 1.0972 0.7077 0.0982 0.065 Uiso 1 1 calc R . .
C73 C 0.8839(5) 0.9252(4) 0.0570(4) 0.0692(16) Uani 1 1 d . . .
C74 C 1.1599(9) 0.8023(5) 0.0098(6) 0.109(3) Uani 1 1 d . . .
C75 C 1.0453(4) 0.6291(3) 0.2111(2) 0.0450(10) Uani 1 1 d . . .
C76 C 1.1447(4) 0.6685(3) 0.2399(3) 0.0501(11) Uani 1 1 d . . .
H76 H 1.1585 0.7214 0.2360 0.060 Uiso 1 1 calc R . .
C77 C 1.2233(4) 0.6316(3) 0.2738(3) 0.0559(12) Uani 1 1 d . D .
C78 C 1.2056(4) 0.5536(3) 0.2819(3) 0.0624(14) Uani 1 1 d . . .
H78 H 1.2583 0.5286 0.3047 0.075 Uiso 1 1 calc R . .
C79 C 1.1080(4) 0.5132(3) 0.2556(3) 0.0590(13) Uani 1 1 d . E .
C80 C 1.0296(4) 0.5503(3) 0.2206(3) 0.0509(11) Uani 1 1 d . . .
H80 H 0.9646 0.5216 0.2030 0.061 Uiso 1 1 calc R . .
C81 C 1.3276(5) 0.6772(5) 0.3014(5) 0.0835(19) Uani 1 1 d . . .
C82 C 1.0853(7) 0.4280(4) 0.2653(5) 0.089(2) Uani 1 1 d . . .
C83 C 0.9242(3) 0.7090(3) 0.2498(2) 0.0396(9) Uani 1 1 d . . .
C84 C 0.9668(3) 0.7817(3) 0.2893(2) 0.0436(10) Uani 1 1 d . . .
H84 H 1.0104 0.8152 0.2713 0.052 Uiso 1 1 calc R . .
C85 C 0.9471(3) 0.8063(3) 0.3544(3) 0.0462(10) Uani 1 1 d . F .
C86 C 0.8836(4) 0.7580(3) 0.3834(3) 0.0516(12) Uani 1 1 d . . .
H86 H 0.8705 0.7741 0.4273 0.062 Uiso 1 1 calc R . .
C87 C 0.8400(4) 0.6856(3) 0.3461(3) 0.0490(11) Uani 1 1 d . G .
C88 C 0.8605(3) 0.6615(3) 0.2808(3) 0.0452(10) Uani 1 1 d . . .
H88 H 0.8308 0.6120 0.2570 0.054 Uiso 1 1 calc R . .
C89 C 0.9959(5) 0.8855(4) 0.3932(3) 0.0670(15) Uani 1 1 d . . .
C90 C 0.7683(6) 0.6326(3) 0.3750(4) 0.0713(17) Uani 1 1 d . . .
F65A F 0.5417(3) 0.5945(4) 0.0932(3) 0.138(2) Uani 1 1 d . . .
F65B F 0.5767(3) 0.6964(3) 0.0481(3) 0.1331(19) Uani 1 1 d . . .
F65C F 0.5069(3) 0.5937(4) -0.0221(3) 0.157(2) Uani 1 1 d . . .
F66A F 0.8808(7) 0.4960(8) -0.0741(6) 0.207(6) Uani 0.811(8) 1 d P A 1
F66B F 0.804(2) 0.4107(7) -0.0347(9) 0.351(12) Uani 0.811(8) 1 d P A 1
F66C F 0.7342(7) 0.4687(9) -0.1200(5) 0.216(6) Uani 0.811(8) 1 d P A 1
F73A F 0.8416(7) 0.9330(5) -0.0126(3) 0.142(3) Uani 0.812(8) 1 d P B 1
F73B F 0.8167(5) 0.9225(4) 0.0944(5) 0.138(4) Uani 0.812(8) 1 d P B 1
F73C F 0.9420(4) 0.9968(3) 0.0850(4) 0.103(2) Uani 0.812(8) 1 d P B 1
F74A F 1.1289(11) 0.7507(9) -0.0486(8) 0.253(7) Uani 0.837(8) 1 d P C 1
F74B F 1.1866(8) 0.8644(5) -0.0152(7) 0.182(5) Uani 0.837(8) 1 d P C 1
F74C F 1.2365(8) 0.7791(11) 0.0487(8) 0.233(7) Uani 0.837(8) 1 d P C 1
F81A F 1.3368(6) 0.7311(8) 0.3565(7) 0.192(5) Uani 0.765(9) 1 d P D 1
F81B F 1.3969(4) 0.6387(5) 0.3250(10) 0.192(6) Uani 0.765(9) 1 d P D 1
F81C F 1.3511(5) 0.7209(8) 0.2530(6) 0.184(5) Uani 0.765(9) 1 d P D 1
F82A F 1.0188(6) 0.4129(3) 0.3038(4) 0.138(3) Uani 0.897(7) 1 d P E 1
F82B F 1.0386(6) 0.3845(3) 0.2008(4) 0.134(3) Uani 0.897(7) 1 d P E 1
F82C F 1.1638(5) 0.3988(3) 0.2963(5) 0.162(4) Uani 0.897(7) 1 d P E 1
F89A F 0.9787(8) 0.8996(5) 0.4567(5) 0.169(5) Uani 0.778(8) 1 d P F 1
F89B F 0.9806(8) 0.9411(3) 0.3515(4) 0.145(4) Uani 0.778(8) 1 d P F 1
F89C F 1.0976(4) 0.8934(3) 0.4122(4) 0.108(2) Uani 0.778(8) 1 d P F 1
F90A F 0.7884(7) 0.6447(4) 0.4485(3) 0.140(3) Uani 0.926(7) 1 d P G 1
F90B F 0.6751(4) 0.6422(4) 0.3469(5) 0.139(3) Uani 0.926(7) 1 d P G 1
F90C F 0.7700(5) 0.5589(2) 0.3609(4) 0.104(2) Uani 0.926(7) 1 d P G 1
F66D F 0.7288(18) 0.4203(16) -0.0781(16) 0.077(2) Uiso 0.189(8) 1 d P A 2
F66E F 0.809(2) 0.5175(13) -0.1141(14) 0.077(2) Uiso 0.189(8) 1 d P A 2
F66F F 0.8779(19) 0.4457(16) -0.0293(15) 0.077(2) Uiso 0.189(8) 1 d P A 2
F73D F 0.8939(19) 0.9637(15) 0.1093(13) 0.077(2) Uiso 0.188(8) 1 d P B 2
F73E F 0.8937(18) 0.9648(14) 0.0058(15) 0.077(2) Uiso 0.188(8) 1 d P B 2
F73F F 0.7905(16) 0.8848(12) 0.0280(13) 0.077(2) Uiso 0.188(8) 1 d P B 2
F74D F 1.2408(19) 0.8571(17) 0.0513(16) 0.077(2) Uiso 0.163(8) 1 d P C 2
F74E F 1.179(3) 0.7424(19) -0.0005(19) 0.077(2) Uiso 0.163(8) 1 d P C 2
F74F F 1.115(2) 0.8198(18) -0.0629(15) 0.077(2) Uiso 0.163(8) 1 d P C 2
F81D F 1.3837(15) 0.6531(12) 0.2618(11) 0.077(2) Uiso 0.235(9) 1 d P D 2
F81E F 1.3391(16) 0.7463(13) 0.3038(14) 0.077(2) Uiso 0.235(9) 1 d P D 2
F81F F 1.3724(16) 0.6639(13) 0.3682(10) 0.077(2) Uiso 0.235(9) 1 d P D 2
F82D F 1.147(3) 0.397(2) 0.236(2) 0.077(2) Uiso 0.103(7) 1 d P E 2
F82E F 1.134(3) 0.426(2) 0.346(2) 0.077(2) Uiso 0.103(7) 1 d P E 2
F82F F 1.014(4) 0.399(3) 0.247(3) 0.077(2) Uiso 0.103(7) 1 d P E 2
F89D F 1.0577(16) 0.9243(12) 0.3707(12) 0.077(2) Uiso 0.222(8) 1 d P F 2
F89E F 1.0335(16) 0.8865(12) 0.4630(13) 0.077(2) Uiso 0.222(8) 1 d P F 2
F89F F 0.9250(14) 0.9306(11) 0.3926(13) 0.077(2) Uiso 0.222(8) 1 d P F 2
F90D F 0.693(4) 0.590(4) 0.320(3) 0.077(2) Uiso 0.074(7) 1 d P G 2
F90E F 0.811(4) 0.587(4) 0.411(4) 0.077(2) Uiso 0.074(7) 1 d P G 2
F90F F 0.728(5) 0.663(4) 0.409(4) 0.077(2) Uiso 0.074(7) 1 d P G 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
B B 0.0013 0.0007 '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'
Ni Ni 0.3393 1.1124 '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
_geom_angle_publ_flag
C2 Ni C3 40.1(2) . . ?
C2 Ni C1 36.8(2) . . ?
C3 Ni C1 65.8(3) . . ?
C2 Ni Sb1 117.33(16) . . ?
C3 Ni Sb1 88.45(16) . . ?
C1 Ni Sb1 153.1(2) . . ?
C2 Ni Sb2 110.58(17) . . ?
C3 Ni Sb2 147.65(16) . . ?
C1 Ni Sb2 98.2(2) . . ?
Sb1 Ni Sb2 100.35(3) . . ?
C2 Ni Sb3 115.95(18) . . ?
C3 Ni Sb3 106.28(17) . . ?
C1 Ni Sb3 85.4(2) . . ?
Sb1 Ni Sb3 110.24(2) . . ?
Sb2 Ni Sb3 99.76(2) . . ?
C5 Sb1 C11 99.7(2) . . ?
C5 Sb1 C17 99.37(19) . . ?
C11 Sb1 C17 99.4(2) . . ?
C5 Sb1 Ni 124.92(14) . . ?
C11 Sb1 Ni 115.08(16) . . ?
C17 Sb1 Ni 114.38(13) . . ?
C23 Sb2 C35 102.4(2) . . ?
C23 Sb2 C29 98.5(2) . . ?
C35 Sb2 C29 100.83(19) . . ?
C23 Sb2 Ni 119.74(13) . . ?
C35 Sb2 Ni 112.43(13) . . ?
C29 Sb2 Ni 119.86(14) . . ?
C41 Sb3 C53 101.19(18) . . ?
C41 Sb3 C47 99.99(18) . . ?
C53 Sb3 C47 99.48(19) . . ?
C41 Sb3 Ni 126.12(15) . . ?
C53 Sb3 Ni 114.47(14) . . ?
C47 Sb3 Ni 111.63(12) . . ?
C2 C1 Ni 62.9(4) . . ?
C1 C2 C3 116.1(6) . . ?
C1 C2 C4 119.9(6) . . ?
C3 C2 C4 123.7(6) . . ?
C1 C2 Ni 80.3(4) . . ?
C3 C2 Ni 72.4(3) . . ?
C4 C2 Ni 111.9(6) . . ?
C2 C3 Ni 67.5(3) . . ?
C6 C5 C10 118.4(5) . . ?
C6 C5 Sb1 120.1(4) . . ?
C10 C5 Sb1 121.4(4) . . ?
C5 C6 C7 120.7(6) . . ?
C8 C7 C6 120.2(6) . . ?
C7 C8 C9 120.2(6) . . ?
C8 C9 C10 119.9(6) . . ?
C5 C10 C9 120.6(6) . . ?
C12 C11 C16 118.5(5) . . ?
C12 C11 Sb1 120.2(5) . . ?
C16 C11 Sb1 121.3(4) . . ?
C11 C12 C13 120.4(7) . . ?
C14 C13 C12 119.6(7) . . ?
C15 C14 C13 120.7(7) . . ?
C14 C15 C16 120.4(8) . . ?
C11 C16 C15 120.4(7) . . ?
C22 C17 C18 119.6(5) . . ?
C22 C17 Sb1 120.1(4) . . ?
C18 C17 Sb1 120.3(4) . . ?
C17 C18 C19 120.7(5) . . ?
C20 C19 C18 119.5(5) . . ?
C19 C20 C21 120.4(6) . . ?
C20 C21 C22 120.5(6) . . ?
C17 C22 C21 119.4(5) . . ?
C28 C23 C24 119.7(6) . . ?
C28 C23 Sb2 118.4(4) . . ?
C24 C23 Sb2 121.9(4) . . ?
C23 C24 C25 119.5(7) . . ?
C26 C25 C24 120.0(7) . . ?
C25 C26 C27 121.0(7) . . ?
C26 C27 C28 119.3(7) . . ?
C23 C28 C27 120.5(6) . . ?
C30 C29 C34 119.0(6) . . ?
C30 C29 Sb2 120.9(5) . . ?
C34 C29 Sb2 120.0(4) . . ?
C29 C30 C31 119.7(7) . . ?
C32 C31 C30 121.2(8) . . ?
C33 C32 C31 119.1(8) . . ?
C32 C33 C34 120.7(8) . . ?
C29 C34 C33 120.1(7) . . ?
C40 C35 C36 118.9(5) . . ?
C40 C35 Sb2 119.7(4) . . ?
C36 C35 Sb2 121.2(4) . . ?
C35 C36 C37 121.0(6) . . ?
C38 C37 C36 119.3(7) . . ?
C39 C38 C37 120.7(6) . . ?
C38 C39 C40 119.7(7) . . ?
C35 C40 C39 120.5(6) . . ?
C42 C41 C46 119.1(5) . . ?
C42 C41 Sb3 119.3(4) . . ?
C46 C41 Sb3 121.6(4) . . ?
C41 C42 C43 120.0(7) . . ?
C44 C43 C42 119.7(8) . . ?
C45 C44 C43 120.9(7) . . ?
C44 C45 C46 120.0(8) . . ?
C45 C46 C41 120.2(7) . . ?
C48 C47 C52 119.2(4) . . ?
C48 C47 Sb3 119.3(3) . . ?
C52 C47 Sb3 121.4(3) . . ?
C47 C48 C49 119.9(5) . . ?
C50 C49 C48 120.6(5) . . ?
C49 C50 C51 120.2(5) . . ?
C50 C51 C52 119.8(5) . . ?
C47 C52 C51 120.3(5) . . ?
C54 C53 C58 118.7(5) . . ?
C54 C53 Sb3 124.4(4) . . ?
C58 C53 Sb3 116.9(4) . . ?
C53 C54 C55 120.6(7) . . ?
C56 C55 C54 119.9(8) . . ?
C57 C56 C55 120.2(7) . . ?
C56 C57 C58 120.6(8) . . ?
C53 C58 C57 120.1(7) . . ?
C59 B C75 114.5(4) . . ?
C59 B C67 102.2(3) . . ?
C75 B C67 113.0(4) . . ?
C59 B C83 112.0(4) . . ?
C75 B C83 103.9(3) . . ?
C67 B C83 111.5(4) . . ?
C60 C59 C64 115.4(4) . . ?
C60 C59 B 121.4(4) . . ?
C64 C59 B 122.3(4) . . ?
C61 C60 C59 122.9(5) . . ?
C62 C61 C60 120.1(5) . . ?
C62 C61 C65 120.9(5) . . ?
C60 C61 C65 119.0(5) . . ?
C63 C62 C61 118.2(5) . . ?
C62 C63 C64 121.5(5) . . ?
C62 C63 C66 119.8(6) . . ?
C64 C63 C66 118.6(6) . . ?
C63 C64 C59 121.8(5) . . ?
F65C C65 F65A 105.8(7) . . ?
F65C C65 F65B 106.7(6) . . ?
F65A C65 F65B 104.0(6) . . ?
F65C C65 C61 114.5(6) . . ?
F65A C65 C61 112.4(6) . . ?
F65B C65 C61 112.6(6) . . ?
F66A C66 F66B 105.7(14) . . ?
F66A C66 F66C 102.7(10) . . ?
F66B C66 F66C 107.0(13) . . ?
F66A C66 F66D 133.6(15) . . ?
F66B C66 F66D 55.5(14) . . ?
F66C C66 F66D 56.2(11) . . ?
F66A C66 F66F 59.4(12) . . ?
F66B C66 F66F 51.0(15) . . ?
F66C C66 F66F 134.2(15) . . ?
F66D C66 F66F 103.5(18) . . ?
F66A C66 F66E 55.4(11) . . ?
F66B C66 F66E 142.5(13) . . ?
F66C C66 F66E 56.1(11) . . ?
F66D C66 F66E 111.1(17) . . ?
F66F C66 F66E 113.5(18) . . ?
F66A C66 C63 114.8(8) . . ?
F66B C66 C63 112.5(8) . . ?
F66C C66 C63 113.3(9) . . ?
F66D C66 C63 111.6(14) . . ?
F66F C66 C63 112.5(14) . . ?
F66E C66 C63 105.0(12) . . ?
C68 C67 C72 115.6(4) . . ?
C68 C67 B 119.9(4) . . ?
C72 C67 B 123.9(4) . . ?
C69 C68 C67 122.5(5) . . ?
C70 C69 C68 120.2(5) . . ?
C70 C69 C73 119.9(5) . . ?
C68 C69 C73 119.9(5) . . ?
C71 C70 C69 118.8(5) . . ?
C70 C71 C72 120.5(5) . . ?
C70 C71 C74 119.5(5) . . ?
C72 C71 C74 120.0(6) . . ?
C71 C72 C67 122.4(5) . . ?
F73D C73 F73E 110.4(18) . . ?
F73D C73 F73A 131.0(13) . . ?
F73E C73 F73A 37.7(10) . . ?
F73D C73 F73B 55.9(14) . . ?
F73E C73 F73B 129.6(12) . . ?
F73A C73 F73B 109.8(7) . . ?
F73D C73 F73F 113.4(17) . . ?
F73E C73 F73F 102.1(15) . . ?
F73A C73 F73F 65.0(10) . . ?
F73B C73 F73F 58.5(10) . . ?
F73D C73 F73C 48.1(14) . . ?
F73E C73 F73C 68.9(12) . . ?
F73A C73 F73C 103.7(6) . . ?
F73B C73 F73C 101.0(7) . . ?
F73F C73 F73C 146.1(11) . . ?
F73D C73 C69 113.7(12) . . ?
F73E C73 C69 114.2(12) . . ?
F73A C73 C69 114.3(6) . . ?
F73B C73 C69 115.3(5) . . ?
F73F C73 C69 102.3(10) . . ?
F73C C73 C69 111.3(5) . . ?
F74E C74 F74B 128.3(18) . . ?
F74E C74 F74C 55.5(14) . . ?
F74B C74 F74C 109.4(12) . . ?
F74E C74 F74A 48.2(15) . . ?
F74B C74 F74A 104.4(11) . . ?
F74C C74 F74A 101.9(11) . . ?
F74E C74 F74D 114(2) . . ?
F74B C74 F74D 58.4(13) . . ?
F74C C74 F74D 61.7(14) . . ?
F74A C74 F74D 143.4(13) . . ?
F74E C74 F74F 103(2) . . ?
F74B C74 F74F 56.3(11) . . ?
F74C C74 F74F 141.7(13) . . ?
F74A C74 F74F 56.6(13) . . ?
F74D C74 F74F 114.6(18) . . ?
F74E C74 C71 115.3(18) . . ?
F74B C74 C71 115.3(7) . . ?
F74C C74 C71 115.1(8) . . ?
F74A C74 C71 109.4(10) . . ?
F74D C74 C71 107.3(12) . . ?
F74F C74 C71 102.6(13) . . ?
C80 C75 C76 115.7(4) . . ?
C80 C75 B 123.1(4) . . ?
C76 C75 B 120.9(4) . . ?
C77 C76 C75 122.5(5) . . ?
C78 C77 C76 120.5(5) . . ?
C78 C77 C81 120.2(5) . . ?
C76 C77 C81 119.3(5) . . ?
C77 C78 C79 118.6(5) . . ?
C78 C79 C80 120.6(5) . . ?
C78 C79 C82 120.1(5) . . ?
C80 C79 C82 119.2(6) . . ?
C79 C80 C75 122.0(5) . . ?
F81E C81 F81B 125.0(12) . . ?
F81E C81 F81F 104.5(15) . . ?
F81B C81 F81F 49.5(9) . . ?
F81E C81 F81C 51.9(10) . . ?
F81B C81 F81C 108.4(9) . . ?
F81F C81 F81C 135.4(11) . . ?
F81E C81 F81D 107.6(14) . . ?
F81B C81 F81D 54.8(9) . . ?
F81F C81 F81D 103.3(13) . . ?
F81C C81 F81D 61.4(10) . . ?
F81E C81 F81A 48.7(10) . . ?
F81B C81 F81A 106.3(9) . . ?
F81F C81 F81A 62.5(10) . . ?
F81C C81 F81A 99.8(10) . . ?
F81D C81 F81A 138.3(11) . . ?
F81E C81 C77 118.8(11) . . ?
F81B C81 C77 116.0(7) . . ?
F81F C81 C77 111.4(10) . . ?
F81C C81 C77 113.3(7) . . ?
F81D C81 C77 110.1(10) . . ?
F81A C81 C77 111.6(7) . . ?
F82F C82 F82C 126(3) . . ?
F82F C82 F82D 113(4) . . ?
F82C C82 F82D 49.0(18) . . ?
F82F C82 F82B 52(3) . . ?
F82C C82 F82B 106.3(7) . . ?
F82D C82 F82B 66.7(19) . . ?
F82F C82 F82A 51(3) . . ?
F82C C82 F82A 108.6(8) . . ?
F82D C82 F82A 143.3(19) . . ?
F82B C82 F82A 101.9(8) . . ?
F82F C82 F82E 113(3) . . ?
F82C C82 F82E 52.0(16) . . ?
F82D C82 F82E 101(3) . . ?
F82B C82 F82E 144.4(17) . . ?
F82A C82 F82E 67.3(16) . . ?
F82F C82 C79 120(3) . . ?
F82C C82 C79 114.1(7) . . ?
F82D C82 C79 103.9(19) . . ?
F82B C82 C79 112.5(7) . . ?
F82A C82 C79 112.6(6) . . ?
F82E C82 C79 102.8(17) . . ?
C84 C83 C88 115.4(4) . . ?
C84 C83 B 123.6(4) . . ?
C88 C83 B 120.8(4) . . ?
C85 C84 C83 122.9(4) . . ?
C86 C85 C84 120.3(4) . . ?
C86 C85 C89 120.3(4) . . ?
C84 C85 C89 119.4(4) . . ?
C87 C86 C85 118.6(4) . . ?
C86 C87 C88 120.5(4) . . ?
C86 C87 C90 119.8(5) . . ?
C88 C87 C90 119.6(5) . . ?
C87 C88 C83 122.3(4) . . ?
F89D C89 F89E 107.0(14) . . ?
F89D C89 F89B 53.8(11) . . ?
F89E C89 F89B 131.2(11) . . ?
F89D C89 F89A 125.7(10) . . ?
F89E C89 F89A 37.2(9) . . ?
F89B C89 F89A 112.0(8) . . ?
F89D C89 F89C 48.1(11) . . ?
F89E C89 F89C 68.9(10) . . ?
F89B C89 F89C 101.1(6) . . ?
F89A C89 F89C 103.5(7) . . ?
F89D C89 F89F 104.9(14) . . ?
F89E C89 F89F 99.3(13) . . ?
F89B C89 F89F 56.0(9) . . ?
F89A C89 F89F 64.0(9) . . ?
F89C C89 F89F 138.6(9) . . ?
F89D C89 C85 119.4(10) . . ?
F89E C89 C85 113.7(11) . . ?
F89B C89 C85 114.4(5) . . ?
F89A C89 C85 113.9(5) . . ?
F89C C89 C85 110.7(5) . . ?
F89F C89 C85 110.4(9) . . ?
F90F C90 F90E 110(4) . . ?
F90F C90 F90C 131(3) . . ?
F90E C90 F90C 47(3) . . ?
F90F C90 F90B 58(4) . . ?
F90E C90 F90B 137(3) . . ?
F90C C90 F90B 107.0(7) . . ?
F90F C90 F90A 50(4) . . ?
F90E C90 F90A 64(3) . . ?
F90C C90 F90A 105.5(6) . . ?
F90B C90 F90A 105.9(7) . . ?
F90F C90 F90D 103(4) . . ?
F90E C90 F90D 106(4) . . ?
F90C C90 F90D 61(3) . . ?
F90B C90 F90D 50(3) . . ?
F90A C90 F90D 135(2) . . ?
F90F C90 C87 115(3) . . ?
F90E C90 C87 110(3) . . ?
F90C C90 C87 113.4(5) . . ?
F90B C90 C87 112.1(5) . . ?
F90A C90 C87 112.3(6) . . ?
F90D C90 C87 113(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni C2 2.013(5) . ?
Ni C3 2.076(5) . ?
Ni C1 2.228(9) . ?
Ni Sb1 2.5175(7) . ?
Ni Sb2 2.5222(7) . ?
Ni Sb3 2.5650(7) . ?
Sb1 C5 2.128(5) . ?
Sb1 C11 2.134(5) . ?
Sb1 C17 2.153(5) . ?
Sb2 C23 2.129(5) . ?
Sb2 C35 2.139(5) . ?
Sb2 C29 2.143(5) . ?
Sb3 C41 2.124(5) . ?
Sb3 C53 2.140(5) . ?
Sb3 C47 2.152(5) . ?
C1 C2 1.355(9) . ?
C2 C3 1.403(7) . ?
C2 C4 1.466(10) . ?
C5 C6 1.375(7) . ?
C5 C10 1.381(7) . ?
C6 C7 1.384(8) . ?
C7 C8 1.359(9) . ?
C8 C9 1.366(10) . ?
C9 C10 1.385(8) . ?
C11 C12 1.370(8) . ?
C11 C16 1.376(8) . ?
C12 C13 1.394(9) . ?
C13 C14 1.356(11) . ?
C14 C15 1.342(11) . ?
C15 C16 1.381(8) . ?
C17 C22 1.372(7) . ?
C17 C18 1.373(7) . ?
C18 C19 1.381(8) . ?
C19 C20 1.360(9) . ?
C20 C21 1.365(9) . ?
C21 C22 1.385(8) . ?
C23 C28 1.380(8) . ?
C23 C24 1.382(8) . ?
C24 C25 1.394(9) . ?
C25 C26 1.367(11) . ?
C26 C27 1.366(11) . ?
C27 C28 1.390(9) . ?
C29 C30 1.375(8) . ?
C29 C34 1.384(8) . ?
C30 C31 1.386(9) . ?
C31 C32 1.365(12) . ?
C32 C33 1.359(12) . ?
C33 C34 1.387(9) . ?
C35 C40 1.379(7) . ?
C35 C36 1.381(8) . ?
C36 C37 1.383(8) . ?
C37 C38 1.371(10) . ?
C38 C39 1.372(10) . ?
C39 C40 1.386(9) . ?
C41 C42 1.375(8) . ?
C41 C46 1.387(8) . ?
C42 C43 1.393(9) . ?
C43 C44 1.363(13) . ?
C44 C45 1.354(12) . ?
C45 C46 1.382(9) . ?
C47 C48 1.386(6) . ?
C47 C52 1.389(6) . ?
C48 C49 1.387(7) . ?
C49 C50 1.368(8) . ?
C50 C51 1.375(8) . ?
C51 C52 1.391(7) . ?
C53 C54 1.369(8) . ?
C53 C58 1.377(8) . ?
C54 C55 1.394(9) . ?
C55 C56 1.360(12) . ?
C56 C57 1.346(13) . ?
C57 C58 1.393(10) . ?
B C59 1.636(7) . ?
B C75 1.637(7) . ?
B C67 1.644(7) . ?
B C83 1.655(7) . ?
C59 C60 1.393(6) . ?
C59 C64 1.401(6) . ?
C60 C61 1.388(7) . ?
C61 C62 1.382(8) . ?
C61 C65 1.485(8) . ?
C62 C63 1.375(8) . ?
C63 C64 1.382(7) . ?
C63 C66 1.511(9) . ?
C65 F65C 1.294(7) . ?
C65 F65A 1.309(8) . ?
C65 F65B 1.318(8) . ?
C66 F66A 1.250(11) . ?
C66 F66B 1.268(13) . ?
C66 F66C 1.269(12) . ?
C66 F66D 1.27(3) . ?
C66 F66F 1.28(3) . ?
C66 F66E 1.33(2) . ?
C67 C68 1.392(6) . ?
C67 C72 1.397(6) . ?
C68 C69 1.390(6) . ?
C69 C70 1.381(7) . ?
C69 C73 1.493(8) . ?
C70 C71 1.374(8) . ?
C71 C72 1.385(7) . ?
C71 C74 1.512(9) . ?
C73 F73D 1.12(2) . ?
C73 F73E 1.24(3) . ?
C73 F73A 1.297(8) . ?
C73 F73B 1.324(8) . ?
C73 F73F 1.34(2) . ?
C73 F73C 1.372(8) . ?
C74 F74E 1.15(3) . ?
C74 F74B 1.256(10) . ?
C74 F74C 1.259(12) . ?
C74 F74A 1.306(14) . ?
C74 F74D 1.38(3) . ?
C74 F74F 1.40(3) . ?
C75 C80 1.395(6) . ?
C75 C76 1.398(7) . ?
C76 C77 1.384(7) . ?
C77 C78 1.375(8) . ?
C77 C81 1.490(8) . ?
C78 C79 1.382(8) . ?
C79 C80 1.389(7) . ?
C79 C82 1.509(9) . ?
C81 F81E 1.19(2) . ?
C81 F81B 1.263(9) . ?
C81 F81F 1.29(2) . ?
C81 F81C 1.299(10) . ?
C81 F81D 1.323(19) . ?
C81 F81A 1.325(11) . ?
C82 F82F 1.01(5) . ?
C82 F82C 1.291(9) . ?
C82 F82D 1.33(4) . ?
C82 F82B 1.330(10) . ?
C82 F82A 1.339(10) . ?
C82 F82E 1.48(4) . ?
C83 C84 1.392(6) . ?
C83 C88 1.397(6) . ?
C84 C85 1.386(6) . ?
C85 C86 1.380(7) . ?
C85 C89 1.495(7) . ?
C86 C87 1.377(7) . ?
C87 C88 1.392(6) . ?
C87 C90 1.501(7) . ?
C89 F89D 1.207(19) . ?
C89 F89E 1.26(2) . ?
C89 F89B 1.289(8) . ?
C89 F89A 1.298(8) . ?
C89 F89C 1.356(8) . ?
C89 F89F 1.364(19) . ?
C90 F90F 1.14(6) . ?
C90 F90E 1.20(6) . ?
C90 F90C 1.308(7) . ?
C90 F90B 1.309(9) . ?
C90 F90A 1.323(8) . ?
C90 F90D 1.33(5) . ?
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
_geom_torsion_publ_flag
C2 Ni Sb1 C5 -167.8(3) . . . . ?
C3 Ni Sb1 C5 163.3(2) . . . . ?
C1 Ni Sb1 C5 179.1(5) . . . . ?
Sb2 Ni Sb1 C5 -48.07(18) . . . . ?
Sb3 Ni Sb1 C5 56.48(18) . . . . ?
C2 Ni Sb1 C11 68.6(3) . . . . ?
C3 Ni Sb1 C11 39.7(2) . . . . ?
C1 Ni Sb1 C11 55.5(5) . . . . ?
Sb2 Ni Sb1 C11 -171.61(17) . . . . ?
Sb3 Ni Sb1 C11 -67.07(17) . . . . ?
C2 Ni Sb1 C17 -45.5(2) . . . . ?
C3 Ni Sb1 C17 -74.4(2) . . . . ?
C1 Ni Sb1 C17 -58.6(5) . . . . ?
Sb2 Ni Sb1 C17 74.24(13) . . . . ?
Sb3 Ni Sb1 C17 178.78(13) . . . . ?
C2 Ni Sb2 C23 -146.2(2) . . . . ?
C3 Ni Sb2 C23 -167.0(4) . . . . ?
C1 Ni Sb2 C23 -110.3(3) . . . . ?
Sb1 Ni Sb2 C23 89.28(17) . . . . ?
Sb3 Ni Sb2 C23 -23.57(17) . . . . ?
C2 Ni Sb2 C35 -25.9(2) . . . . ?
C3 Ni Sb2 C35 -46.7(3) . . . . ?
C1 Ni Sb2 C35 10.0(3) . . . . ?
Sb1 Ni Sb2 C35 -150.44(16) . . . . ?
Sb3 Ni Sb2 C35 96.72(16) . . . . ?
C2 Ni Sb2 C29 92.2(2) . . . . ?
C3 Ni Sb2 C29 71.4(4) . . . . ?
C1 Ni Sb2 C29 128.2(3) . . . . ?
Sb1 Ni Sb2 C29 -32.31(17) . . . . ?
Sb3 Ni Sb2 C29 -145.16(17) . . . . ?
C2 Ni Sb3 C41 -166.3(2) . . . . ?
C3 Ni Sb3 C41 -124.4(2) . . . . ?
C1 Ni Sb3 C41 172.5(3) . . . . ?
Sb1 Ni Sb3 C41 -29.99(15) . . . . ?
Sb2 Ni Sb3 C41 74.94(15) . . . . ?
C2 Ni Sb3 C53 -39.8(2) . . . . ?
C3 Ni Sb3 C53 2.1(2) . . . . ?
C1 Ni Sb3 C53 -60.9(3) . . . . ?
Sb1 Ni Sb3 C53 96.60(15) . . . . ?
Sb2 Ni Sb3 C53 -158.47(15) . . . . ?
C2 Ni Sb3 C47 72.3(2) . . . . ?
C3 Ni Sb3 C47 114.2(2) . . . . ?
C1 Ni Sb3 C47 51.1(2) . . . . ?
Sb1 Ni Sb3 C47 -151.37(13) . . . . ?
Sb2 Ni Sb3 C47 -46.43(13) . . . . ?
C3 Ni C1 C2 37.0(4) . . . . ?
Sb1 Ni C1 C2 19.6(8) . . . . ?
Sb2 Ni C1 C2 -113.6(4) . . . . ?
Sb3 Ni C1 C2 147.2(4) . . . . ?
Ni C1 C2 C3 -64.8(4) . . . . ?
Ni C1 C2 C4 109.8(8) . . . . ?
C3 Ni C2 C1 -121.6(6) . . . . ?
Sb1 Ni C2 C1 -170.2(4) . . . . ?
Sb2 Ni C2 C1 75.6(5) . . . . ?
Sb3 Ni C2 C1 -37.0(5) . . . . ?
C1 Ni C2 C3 121.6(6) . . . . ?
Sb1 Ni C2 C3 -48.6(4) . . . . ?
Sb2 Ni C2 C3 -162.8(3) . . . . ?
Sb3 Ni C2 C3 84.6(3) . . . . ?
C3 Ni C2 C4 120.0(6) . . . . ?
C1 Ni C2 C4 -118.4(7) . . . . ?
Sb1 Ni C2 C4 71.4(5) . . . . ?
Sb2 Ni C2 C4 -42.8(5) . . . . ?
Sb3 Ni C2 C4 -155.4(4) . . . . ?
C1 C2 C3 Ni 69.3(6) . . . . ?
C4 C2 C3 Ni -105.0(8) . . . . ?
C1 Ni C3 C2 -34.1(4) . . . . ?
Sb1 Ni C3 C2 138.2(3) . . . . ?
Sb2 Ni C3 C2 31.2(5) . . . . ?
Sb3 Ni C3 C2 -111.2(3) . . . . ?
C11 Sb1 C5 C6 -172.6(5) . . . . ?
C17 Sb1 C5 C6 -71.3(5) . . . . ?
Ni Sb1 C5 C6 57.4(5) . . . . ?
C11 Sb1 C5 C10 4.9(5) . . . . ?
C17 Sb1 C5 C10 106.2(5) . . . . ?
Ni Sb1 C5 C10 -125.1(4) . . . . ?
C10 C5 C6 C7 -0.5(9) . . . . ?
Sb1 C5 C6 C7 177.0(5) . . . . ?
C5 C6 C7 C8 0.3(11) . . . . ?
C6 C7 C8 C9 0.0(11) . . . . ?
C7 C8 C9 C10 -0.1(12) . . . . ?
C6 C5 C10 C9 0.4(10) . . . . ?
Sb1 C5 C10 C9 -177.1(5) . . . . ?
C8 C9 C10 C5 -0.1(11) . . . . ?
C5 Sb1 C11 C12 -76.8(6) . . . . ?
C17 Sb1 C11 C12 -178.1(6) . . . . ?
Ni Sb1 C11 C12 59.3(6) . . . . ?
C5 Sb1 C11 C16 101.3(5) . . . . ?
C17 Sb1 C11 C16 0.0(6) . . . . ?
Ni Sb1 C11 C16 -122.6(5) . . . . ?
C16 C11 C12 C13 2.4(12) . . . . ?
Sb1 C11 C12 C13 -179.4(6) . . . . ?
C11 C12 C13 C14 -0.9(14) . . . . ?
C12 C13 C14 C15 -1.1(15) . . . . ?
C13 C14 C15 C16 1.3(16) . . . . ?
C12 C11 C16 C15 -2.2(11) . . . . ?
Sb1 C11 C16 C15 179.7(6) . . . . ?
C14 C15 C16 C11 0.3(14) . . . . ?
C5 Sb1 C17 C22 4.4(5) . . . . ?
C11 Sb1 C17 C22 105.9(4) . . . . ?
Ni Sb1 C17 C22 -130.9(4) . . . . ?
C5 Sb1 C17 C18 -177.3(4) . . . . ?
C11 Sb1 C17 C18 -75.8(4) . . . . ?
Ni Sb1 C17 C18 47.3(4) . . . . ?
C22 C17 C18 C19 1.1(8) . . . . ?
Sb1 C17 C18 C19 -177.2(4) . . . . ?
C17 C18 C19 C20 -0.7(9) . . . . ?
C18 C19 C20 C21 0.2(10) . . . . ?
C19 C20 C21 C22 -0.1(11) . . . . ?
C18 C17 C22 C21 -0.9(9) . . . . ?
Sb1 C17 C22 C21 177.4(5) . . . . ?
C20 C21 C22 C17 0.4(10) . . . . ?
C35 Sb2 C23 C28 -165.6(4) . . . . ?
C29 Sb2 C23 C28 91.3(4) . . . . ?
Ni Sb2 C23 C28 -40.4(5) . . . . ?
C35 Sb2 C23 C24 16.0(5) . . . . ?
C29 Sb2 C23 C24 -87.1(5) . . . . ?
Ni Sb2 C23 C24 141.2(4) . . . . ?
C28 C23 C24 C25 -0.2(9) . . . . ?
Sb2 C23 C24 C25 178.2(5) . . . . ?
C23 C24 C25 C26 0.1(11) . . . . ?
C24 C25 C26 C27 0.3(12) . . . . ?
C25 C26 C27 C28 -0.6(12) . . . . ?
C24 C23 C28 C27 -0.1(9) . . . . ?
Sb2 C23 C28 C27 -178.6(5) . . . . ?
C26 C27 C28 C23 0.5(11) . . . . ?
C23 Sb2 C29 C30 4.8(5) . . . . ?
C35 Sb2 C29 C30 -99.7(5) . . . . ?
Ni Sb2 C29 C30 136.4(4) . . . . ?
C23 Sb2 C29 C34 -171.6(4) . . . . ?
C35 Sb2 C29 C34 83.9(4) . . . . ?
Ni Sb2 C29 C34 -40.0(5) . . . . ?
C34 C29 C30 C31 -0.4(9) . . . . ?
Sb2 C29 C30 C31 -176.8(5) . . . . ?
C29 C30 C31 C32 0.8(11) . . . . ?
C30 C31 C32 C33 -2.3(12) . . . . ?
C31 C32 C33 C34 3.4(11) . . . . ?
C30 C29 C34 C33 1.5(8) . . . . ?
Sb2 C29 C34 C33 178.0(5) . . . . ?
C32 C33 C34 C29 -3.0(10) . . . . ?
C23 Sb2 C35 C40 57.4(5) . . . . ?
C29 Sb2 C35 C40 158.7(4) . . . . ?
Ni Sb2 C35 C40 -72.5(4) . . . . ?
C23 Sb2 C35 C36 -128.6(5) . . . . ?
C29 Sb2 C35 C36 -27.3(5) . . . . ?
Ni Sb2 C35 C36 101.6(5) . . . . ?
C40 C35 C36 C37 2.1(9) . . . . ?
Sb2 C35 C36 C37 -171.9(5) . . . . ?
C35 C36 C37 C38 -2.3(11) . . . . ?
C36 C37 C38 C39 1.3(11) . . . . ?
C37 C38 C39 C40 -0.2(11) . . . . ?
C36 C35 C40 C39 -1.0(9) . . . . ?
Sb2 C35 C40 C39 173.2(5) . . . . ?
C38 C39 C40 C35 0.0(10) . . . . ?
C53 Sb3 C41 C42 -112.9(4) . . . . ?
C47 Sb3 C41 C42 145.2(4) . . . . ?
Ni Sb3 C41 C42 18.9(5) . . . . ?
C53 Sb3 C41 C46 67.4(4) . . . . ?
C47 Sb3 C41 C46 -34.5(4) . . . . ?
Ni Sb3 C41 C46 -160.8(3) . . . . ?
C46 C41 C42 C43 2.3(9) . . . . ?
Sb3 C41 C42 C43 -177.4(5) . . . . ?
C41 C42 C43 C44 -1.6(11) . . . . ?
C42 C43 C44 C45 -0.1(13) . . . . ?
C43 C44 C45 C46 1.0(12) . . . . ?
C44 C45 C46 C41 -0.3(10) . . . . ?
C42 C41 C46 C45 -1.3(8) . . . . ?
Sb3 C41 C46 C45 178.4(4) . . . . ?
C41 Sb3 C47 C48 -35.8(4) . . . . ?
C53 Sb3 C47 C48 -139.1(4) . . . . ?
Ni Sb3 C47 C48 99.7(4) . . . . ?
C41 Sb3 C47 C52 148.8(4) . . . . ?
C53 Sb3 C47 C52 45.5(4) . . . . ?
Ni Sb3 C47 C52 -75.6(4) . . . . ?
C52 C47 C48 C49 0.4(7) . . . . ?
Sb3 C47 C48 C49 -175.1(4) . . . . ?
C47 C48 C49 C50 -0.4(8) . . . . ?
C48 C49 C50 C51 -0.1(9) . . . . ?
C49 C50 C51 C52 0.6(9) . . . . ?
C48 C47 C52 C51 0.0(7) . . . . ?
Sb3 C47 C52 C51 175.4(4) . . . . ?
C50 C51 C52 C47 -0.5(8) . . . . ?
C41 Sb3 C53 C54 -88.7(5) . . . . ?
C47 Sb3 C53 C54 13.6(5) . . . . ?
Ni Sb3 C53 C54 132.7(4) . . . . ?
C41 Sb3 C53 C58 89.6(4) . . . . ?
C47 Sb3 C53 C58 -168.2(4) . . . . ?
Ni Sb3 C53 C58 -49.0(5) . . . . ?
C58 C53 C54 C55 1.7(9) . . . . ?
Sb3 C53 C54 C55 179.9(5) . . . . ?
C53 C54 C55 C56 -1.3(11) . . . . ?
C54 C55 C56 C57 -0.5(13) . . . . ?
C55 C56 C57 C58 1.9(14) . . . . ?
C54 C53 C58 C57 -0.3(9) . . . . ?
Sb3 C53 C58 C57 -178.7(6) . . . . ?
C56 C57 C58 C53 -1.5(12) . . . . ?
C75 B C59 C60 149.7(4) . . . . ?
C67 B C59 C60 -87.8(5) . . . . ?
C83 B C59 C60 31.7(6) . . . . ?
C75 B C59 C64 -41.4(6) . . . . ?
C67 B C59 C64 81.1(5) . . . . ?
C83 B C59 C64 -159.4(4) . . . . ?
C64 C59 C60 C61 0.4(7) . . . . ?
B C59 C60 C61 170.1(4) . . . . ?
C59 C60 C61 C62 -1.1(8) . . . . ?
C59 C60 C61 C65 178.5(5) . . . . ?
C60 C61 C62 C63 0.8(8) . . . . ?
C65 C61 C62 C63 -178.7(6) . . . . ?
C61 C62 C63 C64 0.0(9) . . . . ?
C61 C62 C63 C66 178.9(6) . . . . ?
C62 C63 C64 C59 -0.6(9) . . . . ?
C66 C63 C64 C59 -179.5(6) . . . . ?
C60 C59 C64 C63 0.4(7) . . . . ?
B C59 C64 C63 -169.1(5) . . . . ?
C62 C61 C65 F65C -9.3(10) . . . . ?
C60 C61 C65 F65C 171.1(6) . . . . ?
C62 C61 C65 F65A 111.6(7) . . . . ?
C60 C61 C65 F65A -68.0(8) . . . . ?
C62 C61 C65 F65B -131.4(6) . . . . ?
C60 C61 C65 F65B 49.0(8) . . . . ?
C62 C63 C66 F66A 140.6(11) . . . . ?
C64 C63 C66 F66A -40.5(14) . . . . ?
C62 C63 C66 F66B -98.5(18) . . . . ?
C64 C63 C66 F66B 80.4(18) . . . . ?
C62 C63 C66 F66C 23.0(14) . . . . ?
C64 C63 C66 F66C -158.1(11) . . . . ?
C62 C63 C66 F66D -38.3(18) . . . . ?
C64 C63 C66 F66D 140.6(15) . . . . ?
C62 C63 C66 F66F -154.1(15) . . . . ?
C64 C63 C66 F66F 24.8(18) . . . . ?
C62 C63 C66 F66E 82.1(15) . . . . ?
C64 C63 C66 F66E -99.0(15) . . . . ?
C59 B C67 C68 76.2(5) . . . . ?
C75 B C67 C68 -160.2(4) . . . . ?
C83 B C67 C68 -43.6(6) . . . . ?
C59 B C67 C72 -94.7(5) . . . . ?
C75 B C67 C72 28.8(6) . . . . ?
C83 B C67 C72 145.5(4) . . . . ?
C72 C67 C68 C69 -0.6(7) . . . . ?
B C67 C68 C69 -172.2(4) . . . . ?
C67 C68 C69 C70 -0.5(8) . . . . ?
C67 C68 C69 C73 -179.4(5) . . . . ?
C68 C69 C70 C71 0.7(8) . . . . ?
C73 C69 C70 C71 179.6(6) . . . . ?
C69 C70 C71 C72 0.1(9) . . . . ?
C69 C70 C71 C74 -178.6(7) . . . . ?
C70 C71 C72 C67 -1.2(9) . . . . ?
C74 C71 C72 C67 177.5(7) . . . . ?
C68 C67 C72 C71 1.4(8) . . . . ?
B C67 C72 C71 172.7(5) . . . . ?
C70 C69 C73 F73D -116.2(18) . . . . ?
C68 C69 C73 F73D 62.8(19) . . . . ?
C70 C69 C73 F73E 11.7(15) . . . . ?
C68 C69 C73 F73E -169.3(14) . . . . ?
C70 C69 C73 F73A 53.2(9) . . . . ?
C68 C69 C73 F73A -127.8(7) . . . . ?
C70 C69 C73 F73B -178.1(7) . . . . ?
C68 C69 C73 F73B 0.8(10) . . . . ?
C70 C69 C73 F73F 121.2(12) . . . . ?
C68 C69 C73 F73F -59.9(12) . . . . ?
C70 C69 C73 F73C -63.9(8) . . . . ?
C68 C69 C73 F73C 115.1(6) . . . . ?
C70 C71 C74 F74E -154(2) . . . . ?
C72 C71 C74 F74E 27(2) . . . . ?
C70 C71 C74 F74B 15.3(15) . . . . ?
C72 C71 C74 F74B -163.4(10) . . . . ?
C70 C71 C74 F74C 144.2(13) . . . . ?
C72 C71 C74 F74C -34.5(17) . . . . ?
C70 C71 C74 F74A -101.9(13) . . . . ?
C72 C71 C74 F74A 79.4(14) . . . . ?
C70 C71 C74 F74D 77.9(17) . . . . ?
C72 C71 C74 F74D -100.8(16) . . . . ?
C70 C71 C74 F74F -43.1(17) . . . . ?
C72 C71 C74 F74F 138.2(15) . . . . ?
C59 B C75 C80 -31.8(6) . . . . ?
C67 B C75 C80 -148.3(4) . . . . ?
C83 B C75 C80 90.6(5) . . . . ?
C59 B C75 C76 154.0(4) . . . . ?
C67 B C75 C76 37.5(6) . . . . ?
C83 B C75 C76 -83.6(5) . . . . ?
C80 C75 C76 C77 1.7(7) . . . . ?
B C75 C76 C77 176.3(4) . . . . ?
C75 C76 C77 C78 -1.3(8) . . . . ?
C75 C76 C77 C81 178.5(5) . . . . ?
C76 C77 C78 C79 -0.1(8) . . . . ?
C81 C77 C78 C79 -179.9(6) . . . . ?
C77 C78 C79 C80 1.0(8) . . . . ?
C77 C78 C79 C82 -178.4(6) . . . . ?
C78 C79 C80 C75 -0.5(8) . . . . ?
C82 C79 C80 C75 178.8(6) . . . . ?
C76 C75 C80 C79 -0.8(7) . . . . ?
B C75 C80 C79 -175.2(5) . . . . ?
C78 C77 C81 F81E -169.1(16) . . . . ?
C76 C77 C81 F81E 11.1(18) . . . . ?
C78 C77 C81 F81B 6.6(14) . . . . ?
C76 C77 C81 F81B -173.2(11) . . . . ?
C78 C77 C81 F81F -47.6(15) . . . . ?
C76 C77 C81 F81F 132.6(13) . . . . ?
C78 C77 C81 F81C 132.9(11) . . . . ?
C76 C77 C81 F81C -46.9(12) . . . . ?
C78 C77 C81 F81D 66.3(13) . . . . ?
C76 C77 C81 F81D -113.5(13) . . . . ?
C78 C77 C81 F81A -115.4(11) . . . . ?
C76 C77 C81 F81A 64.8(12) . . . . ?
C78 C79 C82 F82F 178(4) . . . . ?
C80 C79 C82 F82F -1(4) . . . . ?
C78 C79 C82 F82C -2.7(11) . . . . ?
C80 C79 C82 F82C 177.9(8) . . . . ?
C78 C79 C82 F82D -54(2) . . . . ?
C80 C79 C82 F82D 127(2) . . . . ?
C78 C79 C82 F82B -124.0(8) . . . . ?
C80 C79 C82 F82B 56.7(10) . . . . ?
C78 C79 C82 F82A 121.6(8) . . . . ?
C80 C79 C82 F82A -57.7(10) . . . . ?
C78 C79 C82 F82E 51.1(19) . . . . ?
C80 C79 C82 F82E -128.2(18) . . . . ?
C59 B C83 C84 -144.3(4) . . . . ?
C75 B C83 C84 91.6(5) . . . . ?
C67 B C83 C84 -30.4(6) . . . . ?
C59 B C83 C88 41.8(5) . . . . ?
C75 B C83 C88 -82.3(5) . . . . ?
C67 B C83 C88 155.6(4) . . . . ?
C88 C83 C84 C85 -0.8(6) . . . . ?
B C83 C84 C85 -175.1(4) . . . . ?
C83 C84 C85 C86 0.6(7) . . . . ?
C83 C84 C85 C89 -179.8(5) . . . . ?
C84 C85 C86 C87 -0.5(7) . . . . ?
C89 C85 C86 C87 180.0(5) . . . . ?
C85 C86 C87 C88 0.5(7) . . . . ?
C85 C86 C87 C90 -178.3(5) . . . . ?
C86 C87 C88 C83 -0.8(7) . . . . ?
C90 C87 C88 C83 178.0(5) . . . . ?
C84 C83 C88 C87 0.9(7) . . . . ?
B C83 C88 C87 175.3(4) . . . . ?
C86 C85 C89 F89D 173.7(15) . . . . ?
C84 C85 C89 F89D -5.8(17) . . . . ?
C86 C85 C89 F89E 45.9(13) . . . . ?
C84 C85 C89 F89E -133.7(12) . . . . ?
C86 C85 C89 F89B -125.5(8) . . . . ?
C84 C85 C89 F89B 55.0(9) . . . . ?
C86 C85 C89 F89A 5.1(11) . . . . ?
C84 C85 C89 F89A -174.5(8) . . . . ?
C86 C85 C89 F89C 121.2(6) . . . . ?
C84 C85 C89 F89C -58.4(7) . . . . ?
C86 C85 C89 F89F -64.6(13) . . . . ?
C84 C85 C89 F89F 115.8(12) . . . . ?
C86 C87 C90 F90F 26(4) . . . . ?
C88 C87 C90 F90F -153(4) . . . . ?
C86 C87 C90 F90E -98(4) . . . . ?
C88 C87 C90 F90E 83(4) . . . . ?
C86 C87 C90 F90C -148.8(6) . . . . ?
C88 C87 C90 F90C 32.4(9) . . . . ?
C86 C87 C90 F90B 89.9(8) . . . . ?
C88 C87 C90 F90B -88.9(8) . . . . ?
C86 C87 C90 F90A -29.3(9) . . . . ?
C88 C87 C90 F90A 151.9(7) . . . . ?
C86 C87 C90 F90D 144(3) . . . . ?
C88 C87 C90 F90D -35(3) . . . . ?
