#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:08:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178770 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/24/4102470.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_4102470
loop_
_publ_author_name
'Taro Koide'
'Ko Furukawa'
'Hiroshi Shinokubo'
'Jae-Yoon Shin'
'Kil Suk Kim'
'Dongho Kim'
'Atsuhiro Osuka'
_publ_section_title
;
 A Stable Non-Kekulé Singlet Biradicaloid from meso-Free
 5,10,20,25-Tetrakis(Pentafluorophenyl)-Substituted
 [26]Hexaphyrin(1.1.1.1.1.1)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7246
_journal_page_last               7247
_journal_paper_doi               10.1021/ja101040s
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C54 H12 F20 N6 Ni2 O2, 2(C2 H4 Cl2)'
_chemical_formula_sum            'C58 H20 Cl4 F20 N6 Ni2 O2'
_chemical_formula_weight         1472.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                102.521(5)
_cell_angle_beta                 103.388(5)
_cell_angle_gamma                103.748(5)
_cell_formula_units_Z            2
_cell_length_a                   12.107(5)
_cell_length_b                   12.881(5)
_cell_length_c                   18.510(5)
_cell_measurement_reflns_used    10321
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      26.5
_cell_volume                     2612.4(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_sigmaI/netI    0.1019
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13634
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    1.052
_exptl_absorpt_correction_T_max  0.9691
_exptl_absorpt_correction_T_min  0.7431
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.757
_refine_diff_density_min         -0.966
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     885
_refine_ls_number_reflns         10312
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1102
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1157P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1763
_refine_ls_wR_factor_ref         0.2034
_reflns_number_gt                6782
_reflns_number_total             10312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja101040s_si_002.cif
_cod_data_source_block           90129ko
_cod_database_code               4102470
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
Ni1 Ni 0.83024(6) 0.08057(6) 0.97074(4) 0.01857(19) Uani 1 1 d . . .
Ni2 Ni 0.92664(6) 0.45965(5) 0.85647(4) 0.01417(18) Uani 1 1 d . . .
F7 F 0.8097(3) 0.0546(3) 0.63299(19) 0.0271(8) Uani 1 1 d . . .
F8 F 0.7219(3) 0.4784(3) 0.98898(19) 0.0288(8) Uani 1 1 d . . .
F9 F 0.4956(3) 0.3243(3) 0.6702(2) 0.0306(8) Uani 1 1 d . . .
F10 F 0.6551(3) 0.1782(3) 0.70191(19) 0.0275(8) Uani 1 1 d . . .
F11 F 0.3002(3) 0.5091(3) 0.5165(2) 0.0392(9) Uani 1 1 d . . .
N35 N 1.1590(4) 0.4420(4) 1.1498(2) 0.0159(9) Uani 1 1 d . . .
O25 O 0.9981(3) 0.4423(3) 1.0428(2) 0.0161(8) Uani 1 1 d . . .
F14 F 1.1087(4) -0.0679(3) 0.5540(2) 0.0407(10) Uani 1 1 d . . .
F15 F 0.7076(3) 0.6657(3) 0.6461(2) 0.0311(8) Uani 1 1 d . . .
F16 F 0.5056(3) 0.6761(3) 0.5534(2) 0.0357(9) Uani 1 1 d . . .
F17 F 0.4942(3) 0.1300(3) 0.5623(2) 0.0386(9) Uani 1 1 d . . .
F18 F 1.2726(3) 0.1257(3) 0.6446(2) 0.0392(9) Uani 1 1 d . . .
F19 F 0.8752(3) -0.1025(3) 0.5470(2) 0.0395(9) Uani 1 1 d . . .
F20 F 0.6344(3) 0.6373(3) 1.0510(2) 0.0370(9) Uani 1 1 d . . .
F21 F 1.2074(3) 0.2833(3) 0.7299(2) 0.0349(9) Uani 1 1 d . . .
F22 F 0.4800(3) -0.1787(3) 0.7211(2) 0.0390(9) Uani 1 1 d . . .
F23 F 0.6431(3) 0.2936(3) 1.1738(2) 0.0317(8) Uani 1 1 d . . .
F24 F 0.3175(3) -0.2245(3) 0.5822(2) 0.0476(11) Uani 1 1 d . . .
F25 F 0.2967(3) 0.3294(3) 0.5723(2) 0.0377(9) Uani 1 1 d . . .
F26 F 0.5687(3) 0.4579(4) 1.2395(2) 0.0446(10) Uani 1 1 d . . .
O26 O 1.0748(3) -0.0143(3) 0.9702(2) 0.0198(8) Uani 1 1 d . . .
N28 N 1.1421(4) -0.1765(4) 0.9330(3) 0.0189(10) Uani 1 1 d . . .
F27 F 0.5574(4) 0.6291(3) 1.1766(2) 0.0472(11) Uani 1 1 d . . .
F28 F 0.3259(3) -0.0684(4) 0.5041(2) 0.0446(10) Uani 1 1 d . . .
C31 C 0.9724(5) 0.2586(4) 0.7370(3) 0.0185(11) Uani 1 1 d . . .
C32 C 1.0058(5) 0.1742(5) 0.6848(3) 0.0189(12) Uani 1 1 d . . .
C33 C 0.7746(5) 0.4154(4) 0.6986(3) 0.0173(11) Uani 1 1 d . . .
N32 N 0.7200(4) 0.1481(4) 0.9274(3) 0.0180(10) Uani 1 1 d . . .
C35 C 0.7147(5) 0.4929(5) 0.7190(3) 0.0186(12) Uani 1 1 d . . .
N33 N 0.9957(4) 0.3457(4) 0.8752(2) 0.0154(9) Uani 1 1 d . . .
C37 C 0.5728(5) 0.0023(5) 0.7164(3) 0.0216(12) Uani 1 1 d . . .
C38 C 0.9239(5) 0.0738(5) 0.6365(3) 0.0202(12) Uani 1 1 d . . .
N31 N 0.8325(4) -0.0056(4) 0.8733(3) 0.0214(10) Uani 1 1 d . . .
C40 C 1.0541(4) 0.3745(4) 1.0204(3) 0.0132(10) Uani 1 1 d . . .
C41 C 0.7333(5) 0.2906(5) 1.0454(3) 0.0194(12) Uani 1 1 d . . .
C42 C 1.0401(5) 0.3188(4) 0.9422(3) 0.0149(11) Uani 1 1 d . . .
C43 C 0.6484(5) 0.1134(4) 0.8536(3) 0.0186(12) Uani 1 1 d . . .
C44 C 0.6876(5) 0.3805(5) 1.0795(3) 0.0200(12) Uani 1 1 d . . .
C45 C 1.1440(5) 0.3652(4) 1.0821(3) 0.0163(11) Uani 1 1 d . . .
C46 C 0.6079(5) 0.4942(5) 0.6613(3) 0.0189(12) Uani 1 1 d . . .
C47 C 0.6061(5) 0.5836(5) 0.6306(3) 0.0225(12) Uani 1 1 d . . .
C48 C 0.3990(6) 0.5035(5) 0.5637(3) 0.0272(14) Uani 1 1 d . . .
C49 C 1.0110(5) -0.0778(4) 0.9015(3) 0.0177(11) Uani 1 1 d . . .
C50 C 0.6584(5) 0.0310(5) 0.7945(3) 0.0226(12) Uani 1 1 d . . .
C51 C 0.5012(5) 0.4098(5) 0.6400(3) 0.0218(12) Uani 1 1 d . . .
C52 C 0.7612(5) 0.3541(5) 0.6203(3) 0.0205(12) Uani 1 1 d . . .
H1 H 0.7073 0.3552 0.5743 0.025 Uiso 1 1 calc R . .
C53 C 0.4853(5) -0.1012(5) 0.6829(4) 0.0280(14) Uani 1 1 d . . .
N34 N 0.8606(4) 0.3917(4) 0.7493(2) 0.0167(10) Uani 1 1 d . . .
C55 C 0.8705(5) -0.1128(5) 0.7709(3) 0.0231(13) Uani 1 1 d . . .
H2 H 0.9088 -0.1559 0.7428 0.028 Uiso 1 1 calc R . .
C56 C 0.5732(5) 0.0778(5) 0.6735(3) 0.0225(12) Uani 1 1 d . . .
C57 C 1.1056(5) -0.3204(5) 0.8290(3) 0.0219(12) Uani 1 1 d . . .
H3 H 1.1112 -0.3856 0.7963 0.026 Uiso 1 1 calc R . .
C58 C 0.6825(5) 0.4701(5) 1.0500(3) 0.0231(12) Uani 1 1 d . . .
C59 C 1.0098(5) 0.2679(4) 0.8161(3) 0.0163(11) Uani 1 1 d . . .
C60 C 0.4915(6) 0.0553(5) 0.6023(3) 0.0268(13) Uani 1 1 d . . .
C61 C 1.0785(5) 0.2216(4) 0.9240(3) 0.0187(11) Uani 1 1 d . . .
H4 H 1.1108 0.1857 0.9598 0.022 Uiso 1 1 calc R . .
C62 C 0.6396(5) 0.5543(5) 1.0820(4) 0.0281(14) Uani 1 1 d . . .
C63 C 0.6041(6) 0.4632(6) 1.1764(4) 0.0322(15) Uani 1 1 d . . .
C64 C 1.2516(5) 0.4367(4) 1.2063(3) 0.0171(11) Uani 1 1 d . . .
C65 C 1.0516(5) -0.1714(5) 0.8748(3) 0.0202(12) Uani 1 1 d . . .
C66 C 1.1239(5) 0.1890(5) 0.6853(3) 0.0221(12) Uani 1 1 d . . .
C67 C 0.6458(5) 0.3795(5) 1.1434(3) 0.0250(13) Uani 1 1 d . . .
C68 C 1.0269(5) -0.2642(5) 0.8090(3) 0.0219(12) Uani 1 1 d . . .
H5 H 0.9672 -0.2831 0.7607 0.026 Uiso 1 1 calc R . .
C69 C 0.9578(6) -0.0068(5) 0.5930(3) 0.0277(14) Uani 1 1 d . . .
C70 C 0.4054(5) -0.0471(6) 0.5721(3) 0.0312(15) Uani 1 1 d . . .
C71 C 0.9086(5) -0.0641(4) 0.8531(3) 0.0200(12) Uani 1 1 d . . .
C72 C 1.1767(5) -0.2668(4) 0.9053(3) 0.0192(12) Uani 1 1 d . . .
C73 C 0.8391(5) 0.2956(5) 0.6247(3) 0.0211(12) Uani 1 1 d . . .
H6 H 0.8528 0.2497 0.5822 0.025 Uiso 1 1 calc R . .
C74 C 0.6833(5) 0.2304(4) 0.9668(3) 0.0188(12) Uani 1 1 d . . .
C75 C 0.6000(6) 0.5502(6) 1.1463(4) 0.0328(15) Uani 1 1 d . . .
C76 C 0.5031(6) 0.5887(5) 0.5824(3) 0.0261(14) Uani 1 1 d . . .
C77 C 1.0600(5) 0.1906(4) 0.8464(3) 0.0188(12) Uani 1 1 d . . .
H7 H 1.0771 0.1291 0.8175 0.023 Uiso 1 1 calc R . .
C78 C 1.2303(5) 0.3068(5) 1.0957(3) 0.0208(12) Uani 1 1 d . . .
H8 H 1.2398 0.2486 1.0585 0.025 Uiso 1 1 calc R . .
C79 C 0.5849(5) 0.2461(5) 0.9137(3) 0.0201(12) Uani 1 1 d . . .
H9 H 0.5433 0.2982 0.9258 0.024 Uiso 1 1 calc R . .
C80 C 1.1590(6) 0.1091(5) 0.6418(3) 0.0272(14) Uani 1 1 d . . .
C81 C 0.5629(5) 0.1736(4) 0.8441(3) 0.0204(12) Uani 1 1 d . . .
H10 H 0.5027 0.1640 0.7978 0.025 Uiso 1 1 calc R . .
C82 C 0.8977(5) 0.3147(5) 0.7050(3) 0.0183(11) Uani 1 1 d . . .
C83 C 0.7500(5) -0.0195(5) 0.8044(3) 0.0227(13) Uani 1 1 d . . .
C84 C 1.0750(6) 0.0106(5) 0.5961(3) 0.0287(14) Uani 1 1 d . . .
C85 C 0.7723(6) -0.0880(5) 0.7401(3) 0.0252(13) Uani 1 1 d . . .
H11 H 0.7269 -0.1106 0.6870 0.030 Uiso 1 1 calc R . .
C87 C 0.4026(6) -0.1246(5) 0.6127(4) 0.0334(15) Uani 1 1 d . . .
C88 C 0.3974(6) 0.4128(5) 0.5913(3) 0.0267(13) Uani 1 1 d . . .
C89 C 1.2963(5) 0.3502(5) 1.1716(3) 0.0208(12) Uani 1 1 d . . .
H12 H 1.3601 0.3276 1.1971 0.025 Uiso 1 1 calc R . .
C90 C 0.6604(9) 0.0218(8) 1.1379(6) 0.029(3) Uani 0.603(15) 1 d PD A 3
H15 H 0.5744 0.0049 1.1331 0.034 Uiso 0.603(15) 1 calc PR A 3
H16 H 0.6850 0.0886 1.1202 0.034 Uiso 0.603(15) 1 calc PR A 3
C86 C 0.6845(19) -0.078(2) 1.0889(10) 0.027(5) Uani 0.603(15) 1 d PD A 3
H13 H 0.6634 -0.1432 1.1085 0.033 Uiso 0.603(15) 1 calc PR A 3
H14 H 0.7703 -0.0594 1.0927 0.033 Uiso 0.603(15) 1 calc PR A 3
Cl2 Cl 0.5990(9) -0.1103(9) 0.9912(5) 0.0349(15) Uani 0.603(15) 1 d PD A 3
Cl1 Cl 0.7450(10) 0.0462(9) 1.2360(5) 0.0408(17) Uani 0.603(15) 1 d PD A 3
C96 C 0.6117(14) -0.0244(13) 1.0632(10) 0.032(5) Uani 0.397(15) 1 d PD A 4
H25 H 0.6421 0.0548 1.0649 0.038 Uiso 0.397(15) 1 calc PR A 4
H26 H 0.5381 -0.0348 1.0792 0.038 Uiso 0.397(15) 1 calc PR A 4
Cl7 Cl 0.7406(18) 0.0364(17) 1.2123(8) 0.060(4) Uani 0.397(15) 1 d PD A 4
C97 C 0.702(4) -0.055(3) 1.1153(15) 0.034(9) Uani 0.397(15) 1 d PD A 4
H27 H 0.7735 -0.0484 1.0975 0.040 Uiso 0.397(15) 1 calc PR A 4
H28 H 0.6697 -0.1336 1.1150 0.040 Uiso 0.397(15) 1 calc PR A 4
Cl8 Cl 0.5807(15) -0.1143(14) 0.9661(7) 0.033(2) Uani 0.397(15) 1 d PD A 4
Cl9 Cl 0.8498(2) 0.52343(19) 0.33946(14) 0.0620(6) Uani 1 1 d D . .
Cl10 Cl 1.0288(3) 0.2984(2) 0.41484(18) 0.0941(10) Uani 1 1 d D . .
C98 C 1.0069(17) 0.4207(13) 0.3934(10) 0.047(6) Uani 0.51(3) 1 d PD B 1
H29 H 1.0467 0.4861 0.4398 0.056 Uiso 0.51(3) 1 calc PR B 1
H30 H 1.0405 0.4342 0.3512 0.056 Uiso 0.51(3) 1 calc PR B 1
C99 C 0.8743(18) 0.4026(16) 0.3687(11) 0.053(6) Uani 0.51(3) 1 d PD B 1
H31 H 0.8418 0.3945 0.4123 0.064 Uiso 0.51(3) 1 calc PR B 1
H32 H 0.8339 0.3339 0.3249 0.064 Uiso 0.51(3) 1 calc PR B 1
C102 C 0.9633(18) 0.4692(19) 0.3778(12) 0.066(7) Uani 0.49(3) 1 d PD B 2
H33 H 1.0204 0.4726 0.3471 0.079 Uiso 0.49(3) 1 calc PR B 2
H34 H 1.0071 0.5141 0.4320 0.079 Uiso 0.49(3) 1 calc PR B 2
C103 C 0.9076(17) 0.349(2) 0.3749(13) 0.069(7) Uani 0.49(3) 1 d PD B 2
H35 H 0.8641 0.3032 0.3207 0.083 Uiso 0.49(3) 1 calc PR B 2
H36 H 0.8509 0.3448 0.4059 0.083 Uiso 0.49(3) 1 calc PR B 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
N28 Ni1 O26 81.93(18) 2_757 2_757
N28 Ni1 N32 89.8(2) 2_757 .
O26 Ni1 N32 168.44(18) 2_757 .
N28 Ni1 N31 169.2(2) 2_757 .
O26 Ni1 N31 94.49(18) 2_757 .
N32 Ni1 N31 95.1(2) . .
N35 Ni2 N34 90.01(19) 2_767 .
N35 Ni2 O25 82.15(18) 2_767 2_767
N34 Ni2 O25 166.91(17) . 2_767
N35 Ni2 N33 168.11(19) 2_767 .
N34 Ni2 N33 94.70(19) . .
O25 Ni2 N33 95.04(17) 2_767 .
C45 N35 C64 109.1(4) . .
C45 N35 Ni2 116.2(3) . 2_767
C64 N35 Ni2 133.8(4) . 2_767
C40 O25 Ni2 114.7(3) . 2_767
C49 O26 Ni1 114.8(3) . 2_757
C72 N28 C65 108.1(5) . .
C72 N28 Ni1 135.4(4) . 2_757
C65 N28 Ni1 115.5(4) . 2_757
C82 C31 C59 123.9(5) . .
C82 C31 C32 119.5(5) . .
C59 C31 C32 116.3(5) . .
C38 C32 C66 116.0(5) . .
C38 C32 C31 122.7(5) . .
C66 C32 C31 121.2(5) . .
N34 C33 C35 125.4(5) . .
N34 C33 C52 109.3(5) . .
C35 C33 C52 125.1(5) . .
C43 N32 C74 106.4(5) . .
C43 N32 Ni1 126.2(4) . .
C74 N32 Ni1 126.7(4) . .
C64 C35 C33 121.4(5) 2_767 .
C64 C35 C46 118.9(5) 2_767 .
C33 C35 C46 119.5(5) . .
C42 N33 C59 105.2(4) . .
C42 N33 Ni2 132.4(4) . .
C59 N33 Ni2 122.4(3) . .
C56 C37 C53 116.3(6) . .
C56 C37 C50 121.7(5) . .
C53 C37 C50 122.0(5) . .
F7 C38 C69 119.0(5) . .
F7 C38 C32 119.1(5) . .
C69 C38 C32 121.9(5) . .
C83 N31 C71 104.7(5) . .
C83 N31 Ni1 122.9(4) . .
C71 N31 Ni1 132.4(4) . .
O25 C40 C42 125.7(5) . .
O25 C40 C45 113.9(4) . .
C42 C40 C45 120.1(4) . .
C72 C41 C74 122.3(5) 2_757 .
C72 C41 C44 117.5(5) 2_757 .
C74 C41 C44 120.2(5) . .
N33 C42 C40 129.4(5) . .
N33 C42 C61 110.1(4) . .
C40 C42 C61 120.4(5) . .
N32 C43 C50 124.0(5) . .
N32 C43 C81 110.9(5) . .
C50 C43 C81 125.1(5) . .
C58 C44 C67 115.6(5) . .
C58 C44 C41 122.7(5) . .
C67 C44 C41 121.6(5) . .
N35 C45 C40 110.5(4) . .
N35 C45 C78 108.4(5) . .
C40 C45 C78 140.9(5) . .
C51 C46 C47 116.5(5) . .
C51 C46 C35 121.0(5) . .
C47 C46 C35 122.3(5) . .
F15 C47 C76 118.6(5) . .
F15 C47 C46 119.5(5) . .
C76 C47 C46 121.8(6) . .
F11 C48 C88 120.6(6) . .
F11 C48 C76 118.9(5) . .
C88 C48 C76 120.5(5) . .
O26 C49 C71 127.0(5) . .
O26 C49 C65 113.6(5) . .
C71 C49 C65 119.5(5) . .
C43 C50 C83 123.4(6) . .
C43 C50 C37 117.4(5) . .
C83 C50 C37 119.0(5) . .
F9 C51 C88 117.9(5) . .
F9 C51 C46 119.5(5) . .
C88 C51 C46 122.6(5) . .
C73 C52 C33 107.1(5) . .
C73 C52 H1 126.5 . .
C33 C52 H1 126.5 . .
F22 C53 C87 119.0(6) . .
F22 C53 C37 119.5(6) . .
C87 C53 C37 121.5(6) . .
C33 N34 C82 106.3(4) . .
C33 N34 Ni2 127.6(4) . .
C82 N34 Ni2 125.9(4) . .
C85 C55 C71 109.0(5) . .
C85 C55 H2 125.5 . .
C71 C55 H2 125.5 . .
F10 C56 C60 117.6(5) . .
F10 C56 C37 119.4(5) . .
C60 C56 C37 123.0(6) . .
C68 C57 C72 109.0(5) . .
C68 C57 H3 125.5 . .
C72 C57 H3 125.5 . .
F8 C58 C44 119.7(5) . .
F8 C58 C62 117.6(5) . .
C44 C58 C62 122.7(5) . .
N33 C59 C31 125.9(5) . .
N33 C59 C77 110.4(4) . .
C31 C59 C77 123.5(5) . .
F17 C60 C56 121.6(6) . .
F17 C60 C70 119.7(6) . .
C56 C60 C70 118.7(6) . .
C77 C61 C42 107.2(5) . .
C77 C61 H4 126.4 . .
C42 C61 H4 126.4 . .
F20 C62 C75 119.8(5) . .
F20 C62 C58 120.6(6) . .
C75 C62 C58 119.6(6) . .
F26 C63 C75 120.4(6) . .
F26 C63 C67 118.7(6) . .
C75 C63 C67 120.8(6) . .
N35 C64 C35 120.5(5) . 2_767
N35 C64 C89 107.5(5) . .
C35 C64 C89 132.0(5) 2_767 .
N28 C65 C68 108.1(5) . .
N28 C65 C49 110.2(5) . .
C68 C65 C49 141.6(5) . .
F21 C66 C80 117.8(5) . .
F21 C66 C32 119.5(5) . .
C80 C66 C32 122.6(6) . .
F23 C67 C63 118.0(5) . .
F23 C67 C44 119.6(5) . .
C63 C67 C44 122.3(6) . .
C57 C68 C65 106.4(5) . .
C57 C68 H5 126.8 . .
C65 C68 H5 126.8 . .
F19 C69 C84 120.1(5) . .
F19 C69 C38 119.7(6) . .
C84 C69 C38 120.1(6) . .
F28 C70 C87 121.2(6) . .
F28 C70 C60 118.8(6) . .
C87 C70 C60 120.0(6) . .
N31 C71 C49 129.2(5) . .
N31 C71 C55 109.4(5) . .
C49 C71 C55 121.5(5) . .
N28 C72 C41 118.7(5) . 2_757
N28 C72 C57 108.3(5) . .
C41 C72 C57 132.9(5) 2_757 .
C52 C73 C82 107.6(5) . .
C52 C73 H6 126.2 . .
C82 C73 H6 126.2 . .
N32 C74 C41 126.0(5) . .
N32 C74 C79 108.9(5) . .
C41 C74 C79 125.1(5) . .
F27 C75 C63 121.0(6) . .
F27 C75 C62 120.1(6) . .
C63 C75 C62 118.9(6) . .
F16 C76 C48 120.6(5) . .
F16 C76 C47 119.9(6) . .
C48 C76 C47 119.5(5) . .
C61 C77 C59 107.2(5) . .
C61 C77 H7 126.4 . .
C59 C77 H7 126.4 . .
C89 C78 C45 107.4(5) . .
C89 C78 H8 126.3 . .
C45 C78 H8 126.3 . .
C81 C79 C74 107.5(5) . .
C81 C79 H9 126.2 . .
C74 C79 H9 126.2 . .
F18 C80 C84 120.1(5) . .
F18 C80 C66 120.8(6) . .
C84 C80 C66 119.0(6) . .
C79 C81 C43 106.3(5) . .
C79 C81 H10 126.8 . .
C43 C81 H10 126.8 . .
N34 C82 C31 122.9(5) . .
N34 C82 C73 109.6(5) . .
C31 C82 C73 127.2(5) . .
N31 C83 C50 125.9(5) . .
N31 C83 C85 111.5(5) . .
C50 C83 C85 122.5(6) . .
F14 C84 C69 120.4(6) . .
F14 C84 C80 119.3(6) . .
C69 C84 C80 120.3(5) . .
C55 C85 C83 105.4(5) . .
C55 C85 H11 127.3 . .
C83 C85 H11 127.3 . .
F24 C87 C53 120.3(6) . .
F24 C87 C70 119.2(6) . .
C53 C87 C70 120.5(6) . .
F25 C88 C48 120.5(5) . .
F25 C88 C51 120.5(5) . .
C48 C88 C51 119.0(6) . .
C78 C89 C64 107.6(5) . .
C78 C89 H12 126.2 . .
C64 C89 H12 126.2 . .
C86 C90 Cl1 107.0(10) . .
C86 C90 H15 110.3 . .
Cl1 C90 H15 110.3 . .
C86 C90 H16 110.3 . .
Cl1 C90 H16 110.3 . .
H15 C90 H16 108.6 . .
C90 C86 Cl2 109.6(15) . .
C90 C86 H13 109.8 . .
Cl2 C86 H13 109.8 . .
C90 C86 H14 109.8 . .
Cl2 C86 H14 109.8 . .
H13 C86 H14 108.2 . .
C97 C96 Cl8 107.3(14) . .
C97 C96 H25 110.3 . .
Cl8 C96 H25 110.3 . .
C97 C96 H26 110.3 . .
Cl8 C96 H26 110.3 . .
H25 C96 H26 108.5 . .
C96 C97 Cl7 109(2) . .
C96 C97 H27 109.9 . .
Cl7 C97 H27 109.9 . .
C96 C97 H28 109.9 . .
Cl7 C97 H28 109.9 . .
H27 C97 H28 108.3 . .
C102 Cl9 C99 37.7(8) . .
C98 Cl10 C103 40.8(8) . .
C99 C98 Cl10 107.2(12) . .
C99 C98 H29 110.3 . .
Cl10 C98 H29 110.3 . .
C99 C98 H30 110.3 . .
Cl10 C98 H30 110.3 . .
H29 C98 H30 108.5 . .
C98 C99 Cl9 107.7(12) . .
C98 C99 H31 110.2 . .
Cl9 C99 H31 110.2 . .
C98 C99 H32 110.2 . .
Cl9 C99 H32 110.2 . .
H31 C99 H32 108.5 . .
C103 C102 Cl9 109.0(14) . .
C103 C102 H33 109.9 . .
Cl9 C102 H33 109.9 . .
C103 C102 H34 109.9 . .
Cl9 C102 H34 109.9 . .
H33 C102 H34 108.3 . .
C102 C103 Cl10 106.7(14) . .
C102 C103 H35 110.4 . .
Cl10 C103 H35 110.4 . .
C102 C103 H36 110.4 . .
Cl10 C103 H36 110.4 . .
H35 C103 H36 108.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N28 1.840(5) 2_757
Ni1 O26 1.879(4) 2_757
Ni1 N32 1.882(4) .
Ni1 N31 1.912(5) .
Ni2 N35 1.824(4) 2_767
Ni2 N34 1.877(4) .
Ni2 O25 1.883(4) 2_767
Ni2 N33 1.909(4) .
F7 C38 1.329(6) .
F8 C58 1.339(6) .
F9 C51 1.334(6) .
F10 C56 1.337(7) .
F11 C48 1.336(7) .
N35 C45 1.361(7) .
N35 C64 1.371(7) .
N35 Ni2 1.824(4) 2_767
O25 C40 1.283(6) .
O25 Ni2 1.883(4) 2_767
F14 C84 1.340(6) .
F15 C47 1.341(7) .
F16 C76 1.345(6) .
F17 C60 1.335(7) .
F18 C80 1.327(7) .
F19 C69 1.345(7) .
F20 C62 1.327(7) .
F21 C66 1.332(7) .
F22 C53 1.340(7) .
F23 C67 1.344(7) .
F24 C87 1.350(7) .
F25 C88 1.334(7) .
F26 C63 1.344(7) .
O26 C49 1.294(7) .
O26 Ni1 1.879(4) 2_757
N28 C72 1.365(7) .
N28 C65 1.373(7) .
N28 Ni1 1.840(5) 2_757
F27 C75 1.322(7) .
F28 C70 1.323(7) .
C31 C82 1.392(8) .
C31 C59 1.399(7) .
C31 C32 1.487(7) .
C32 C38 1.391(8) .
C32 C66 1.394(8) .
C33 N34 1.371(7) .
C33 C35 1.404(7) .
C33 C52 1.443(7) .
N32 C43 1.349(7) .
N32 C74 1.375(7) .
C35 C64 1.386(8) 2_767
C35 C46 1.481(8) .
N33 C42 1.384(6) .
N33 C59 1.386(7) .
C37 C56 1.383(8) .
C37 C53 1.397(8) .
C37 C50 1.480(8) .
C38 C69 1.374(8) .
N31 C83 1.372(8) .
N31 C71 1.387(7) .
C40 C42 1.420(7) .
C40 C45 1.431(7) .
C41 C72 1.390(8) 2_757
C41 C74 1.401(8) .
C41 C44 1.483(8) .
C42 C61 1.437(7) .
C43 C50 1.400(8) .
C43 C81 1.435(8) .
C44 C58 1.388(8) .
C44 C67 1.391(8) .
C45 C78 1.433(8) .
C46 C51 1.384(8) .
C46 C47 1.392(8) .
C47 C76 1.380(8) .
C48 C88 1.371(9) .
C48 C76 1.374(9) .
C49 C71 1.425(8) .
C49 C65 1.440(8) .
C50 C83 1.410(8) .
C51 C88 1.381(8) .
C52 C73 1.339(8) .
C52 H1 0.9500 .
C53 C87 1.367(9) .
N34 C82 1.373(7) .
C55 C85 1.337(8) .
C55 C71 1.430(8) .
C55 H2 0.9500 .
C56 C60 1.375(8) .
C57 C68 1.360(8) .
C57 C72 1.395(8) .
C57 H3 0.9500 .
C58 C62 1.388(8) .
C59 C77 1.430(7) .
C60 C70 1.377(9) .
C61 C77 1.354(8) .
C61 H4 0.9500 .
C62 C75 1.387(9) .
C63 C75 1.362(10) .
C63 C67 1.380(9) .
C64 C35 1.386(8) 2_767
C64 C89 1.444(7) .
C65 C68 1.426(8) .
C66 C80 1.378(8) .
C68 H5 0.9500 .
C69 C84 1.368(9) .
C70 C87 1.372(10) .
C72 C41 1.390(8) 2_757
C73 C82 1.430(7) .
C73 H6 0.9500 .
C74 C79 1.444(8) .
C77 H7 0.9500 .
C78 C89 1.361(8) .
C78 H8 0.9500 .
C79 C81 1.343(8) .
C79 H9 0.9500 .
C80 C84 1.372(9) .
C81 H10 0.9500 .
C83 C85 1.440(8) .
C85 H11 0.9500 .
C89 H12 0.9500 .
C90 C86 1.53(2) .
C90 Cl1 1.785(13) .
C90 H15 0.9900 .
C90 H16 0.9900 .
C86 Cl2 1.76(2) .
C86 H13 0.9900 .
C86 H14 0.9900 .
C96 C97 1.47(4) .
C96 Cl8 1.814(18) .
C96 H25 0.9900 .
C96 H26 0.9900 .
Cl7 C97 1.81(2) .
C97 H27 0.9900 .
C97 H28 0.9900 .
Cl9 C102 1.76(2) .
Cl9 C99 1.820(18) .
Cl10 C98 1.769(16) .
Cl10 C103 1.811(19) .
C98 C99 1.51(3) .
C98 H29 0.9900 .
C98 H30 0.9900 .
C99 H31 0.9900 .
C99 H32 0.9900 .
C102 C103 1.52(4) .
C102 H33 0.9900 .
C102 H34 0.9900 .
C103 H35 0.9900 .
C103 H36 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C82 C31 C32 C38 -67.2(7) . .
C59 C31 C32 C38 106.5(6) . .
C82 C31 C32 C66 116.7(6) . .
C59 C31 C32 C66 -69.6(7) . .
N28 Ni1 N32 C43 -173.2(4) 2_757 .
O26 Ni1 N32 C43 -129.3(8) 2_757 .
N31 Ni1 N32 C43 16.5(5) . .
N28 Ni1 N32 C74 -4.2(4) 2_757 .
O26 Ni1 N32 C74 39.7(12) 2_757 .
N31 Ni1 N32 C74 -174.5(4) . .
N34 C33 C35 C64 7.6(8) . 2_767
C52 C33 C35 C64 -167.7(5) . 2_767
N34 C33 C35 C46 -167.9(5) . .
C52 C33 C35 C46 16.8(8) . .
N35 Ni2 N33 C42 -50.9(12) 2_767 .
N34 Ni2 N33 C42 -163.9(5) . .
O25 Ni2 N33 C42 24.8(5) 2_767 .
N35 Ni2 N33 C59 128.7(9) 2_767 .
N34 Ni2 N33 C59 15.7(4) . .
O25 Ni2 N33 C59 -155.6(4) 2_767 .
C66 C32 C38 F7 -179.6(5) . .
C31 C32 C38 F7 4.2(8) . .
C66 C32 C38 C69 1.1(8) . .
C31 C32 C38 C69 -175.1(5) . .
N28 Ni1 N31 C83 -129.4(10) 2_757 .
O26 Ni1 N31 C83 160.4(4) 2_757 .
N32 Ni1 N31 C83 -13.1(4) . .
N28 Ni1 N31 C71 49.7(13) 2_757 .
O26 Ni1 N31 C71 -20.5(5) 2_757 .
N32 Ni1 N31 C71 166.0(5) . .
Ni2 O25 C40 C42 -158.5(4) 2_767 .
Ni2 O25 C40 C45 16.2(5) 2_767 .
C59 N33 C42 C40 176.1(5) . .
Ni2 N33 C42 C40 -4.3(8) . .
C59 N33 C42 C61 -1.8(6) . .
Ni2 N33 C42 C61 177.9(4) . .
O25 C40 C42 N33 21.2(9) . .
C45 C40 C42 N33 -153.1(5) . .
O25 C40 C42 C61 -161.1(5) . .
C45 C40 C42 C61 24.5(7) . .
C74 N32 C43 C50 179.0(5) . .
Ni1 N32 C43 C50 -10.2(8) . .
C74 N32 C43 C81 -0.1(6) . .
Ni1 N32 C43 C81 170.7(4) . .
C72 C41 C44 C58 126.4(6) 2_757 .
C74 C41 C44 C58 -55.8(8) . .
C72 C41 C44 C67 -54.1(7) 2_757 .
C74 C41 C44 C67 123.7(6) . .
C64 N35 C45 C40 -175.5(4) . .
Ni2 N35 C45 C40 -4.5(5) 2_767 .
C64 N35 C45 C78 0.5(6) . .
Ni2 N35 C45 C78 171.4(4) 2_767 .
O25 C40 C45 N35 -7.7(6) . .
C42 C40 C45 N35 167.3(5) . .
O25 C40 C45 C78 178.5(6) . .
C42 C40 C45 C78 -6.6(10) . .
C64 C35 C46 C51 -103.7(6) 2_767 .
C33 C35 C46 C51 71.9(7) . .
C64 C35 C46 C47 70.9(7) 2_767 .
C33 C35 C46 C47 -113.5(6) . .
C51 C46 C47 F15 -177.0(5) . .
C35 C46 C47 F15 8.1(8) . .
C51 C46 C47 C76 1.0(8) . .
C35 C46 C47 C76 -173.9(5) . .
Ni1 O26 C49 C71 160.9(4) 2_757 .
Ni1 O26 C49 C65 -18.5(5) 2_757 .
N32 C43 C50 C83 -4.6(9) . .
C81 C43 C50 C83 174.3(5) . .
N32 C43 C50 C37 -180.0(5) . .
C81 C43 C50 C37 -1.0(8) . .
C56 C37 C50 C43 66.3(7) . .
C53 C37 C50 C43 -112.0(6) . .
C56 C37 C50 C83 -109.3(6) . .
C53 C37 C50 C83 72.4(7) . .
C47 C46 C51 F9 -177.0(5) . .
C35 C46 C51 F9 -2.0(8) . .
C47 C46 C51 C88 -0.3(8) . .
C35 C46 C51 C88 174.6(5) . .
N34 C33 C52 C73 -0.4(6) . .
C35 C33 C52 C73 175.5(5) . .
C56 C37 C53 F22 179.6(5) . .
C50 C37 C53 F22 -2.0(8) . .
C56 C37 C53 C87 -2.0(8) . .
C50 C37 C53 C87 176.3(5) . .
C35 C33 N34 C82 -178.1(5) . .
C52 C33 N34 C82 -2.2(6) . .
C35 C33 N34 Ni2 -3.5(8) . .
C52 C33 N34 Ni2 172.4(4) . .
N35 Ni2 N34 C33 -4.5(5) 2_767 .
O25 Ni2 N34 C33 -57.5(10) 2_767 .
N33 Ni2 N34 C33 164.6(4) . .
N35 Ni2 N34 C82 169.1(4) 2_767 .
O25 Ni2 N34 C82 116.1(8) 2_767 .
N33 Ni2 N34 C82 -21.8(5) . .
C53 C37 C56 F10 -179.6(5) . .
C50 C37 C56 F10 2.0(8) . .
C53 C37 C56 C60 1.4(8) . .
C50 C37 C56 C60 -177.0(5) . .
C67 C44 C58 F8 179.4(5) . .
C41 C44 C58 F8 -1.1(9) . .
C67 C44 C58 C62 0.5(9) . .
C41 C44 C58 C62 180.0(5) . .
C42 N33 C59 C31 176.8(5) . .
Ni2 N33 C59 C31 -2.9(7) . .
C42 N33 C59 C77 1.7(6) . .
Ni2 N33 C59 C77 -178.0(3) . .
C82 C31 C59 N33 -11.2(9) . .
C32 C31 C59 N33 175.4(5) . .
C82 C31 C59 C77 163.3(5) . .
C32 C31 C59 C77 -10.1(8) . .
F10 C56 C60 F17 0.9(8) . .
C37 C56 C60 F17 180.0(5) . .
F10 C56 C60 C70 -179.4(5) . .
C37 C56 C60 C70 -0.3(9) . .
N33 C42 C61 C77 1.3(6) . .
C40 C42 C61 C77 -176.8(5) . .
F8 C58 C62 F20 2.3(8) . .
C44 C58 C62 F20 -178.7(5) . .
F8 C58 C62 C75 -178.8(5) . .
C44 C58 C62 C75 0.2(9) . .
C45 N35 C64 C35 179.9(5) . 2_767
Ni2 N35 C64 C35 11.2(8) 2_767 2_767
C45 N35 C64 C89 -0.5(6) . .
Ni2 N35 C64 C89 -169.2(4) 2_767 .
C72 N28 C65 C68 1.7(6) . .
Ni1 N28 C65 C68 -168.8(4) 2_757 .
C72 N28 C65 C49 179.4(4) . .
Ni1 N28 C65 C49 8.9(6) 2_757 .
O26 C49 C65 N28 6.3(6) . .
C71 C49 C65 N28 -173.1(5) . .
O26 C49 C65 C68 -177.2(7) . .
C71 C49 C65 C68 3.4(11) . .
C38 C32 C66 F21 179.7(5) . .
C31 C32 C66 F21 -4.0(8) . .
C38 C32 C66 C80 -0.9(8) . .
C31 C32 C66 C80 175.4(5) . .
F26 C63 C67 F23 3.4(9) . .
C75 C63 C67 F23 -177.3(6) . .
F26 C63 C67 C44 -178.0(5) . .
C75 C63 C67 C44 1.3(10) . .
C58 C44 C67 F23 177.4(5) . .
C41 C44 C67 F23 -2.1(9) . .
C58 C44 C67 C63 -1.2(9) . .
C41 C44 C67 C63 179.3(6) . .
C72 C57 C68 C65 1.1(6) . .
N28 C65 C68 C57 -1.7(6) . .
C49 C65 C68 C57 -178.2(7) . .
F7 C38 C69 F19 0.9(8) . .
C32 C38 C69 F19 -179.8(5) . .
F7 C38 C69 C84 -179.5(5) . .
C32 C38 C69 C84 -0.2(9) . .
F17 C60 C70 F28 -1.1(8) . .
C56 C60 C70 F28 179.2(5) . .
F17 C60 C70 C87 179.5(5) . .
C56 C60 C70 C87 -0.2(9) . .
C83 N31 C71 C49 179.7(5) . .
Ni1 N31 C71 C49 0.6(9) . .
C83 N31 C71 C55 0.2(6) . .
Ni1 N31 C71 C55 -179.0(4) . .
O26 C49 C71 N31 -21.8(9) . .
C65 C49 C71 N31 157.6(5) . .
O26 C49 C71 C55 157.7(5) . .
C65 C49 C71 C55 -22.9(8) . .
C85 C55 C71 N31 -1.1(6) . .
C85 C55 C71 C49 179.4(5) . .
C65 N28 C72 C41 -178.9(5) . 2_757
Ni1 N28 C72 C41 -11.2(8) 2_757 2_757
C65 N28 C72 C57 -1.0(6) . .
Ni1 N28 C72 C57 166.8(4) 2_757 .
C68 C57 C72 N28 -0.1(6) . .
C68 C57 C72 C41 177.4(6) . 2_757
C33 C52 C73 C82 2.7(6) . .
C43 N32 C74 C41 -179.6(5) . .
Ni1 N32 C74 C41 9.7(8) . .
C43 N32 C74 C79 -0.3(6) . .
Ni1 N32 C74 C79 -171.0(4) . .
C72 C41 C74 N32 -4.8(8) 2_757 .
C44 C41 C74 N32 177.5(5) . .
C72 C41 C74 C79 175.9(5) 2_757 .
C44 C41 C74 C79 -1.8(8) . .
F26 C63 C75 F27 -2.4(10) . .
C67 C63 C75 F27 178.3(6) . .
F26 C63 C75 C62 178.6(6) . .
C67 C63 C75 C62 -0.6(10) . .
F20 C62 C75 F27 -0.2(9) . .
C58 C62 C75 F27 -179.0(5) . .
F20 C62 C75 C63 178.8(6) . .
C58 C62 C75 C63 -0.1(9) . .
F11 C48 C76 F16 -0.3(8) . .
C88 C48 C76 F16 177.9(5) . .
F11 C48 C76 C47 -179.4(5) . .
C88 C48 C76 C47 -1.3(9) . .
F15 C47 C76 F16 -1.4(8) . .
C46 C47 C76 F16 -179.4(5) . .
F15 C47 C76 C48 177.8(5) . .
C46 C47 C76 C48 -0.2(8) . .
C42 C61 C77 C59 -0.2(6) . .
N33 C59 C77 C61 -0.9(6) . .
C31 C59 C77 C61 -176.2(5) . .
N35 C45 C78 C89 -0.2(6) . .
C40 C45 C78 C89 173.8(6) . .
N32 C74 C79 C81 0.6(6) . .
C41 C74 C79 C81 179.9(5) . .
F21 C66 C80 F18 0.3(8) . .
C32 C66 C80 F18 -179.1(5) . .
F21 C66 C80 C84 179.2(5) . .
C32 C66 C80 C84 -0.2(9) . .
C74 C79 C81 C43 -0.6(6) . .
N32 C43 C81 C79 0.5(6) . .
C50 C43 C81 C79 -178.6(5) . .
C33 N34 C82 C31 -170.6(5) . .
Ni2 N34 C82 C31 14.7(8) . .
C33 N34 C82 C73 3.8(6) . .
Ni2 N34 C82 C73 -170.9(4) . .
C59 C31 C82 N34 5.2(9) . .
C32 C31 C82 N34 178.4(5) . .
C59 C31 C82 C73 -168.2(5) . .
C32 C31 C82 C73 5.0(9) . .
C52 C73 C82 N34 -4.2(6) . .
C52 C73 C82 C31 169.9(6) . .
C71 N31 C83 C50 -175.4(5) . .
Ni1 N31 C83 C50 3.9(8) . .
C71 N31 C83 C85 0.7(6) . .
Ni1 N31 C83 C85 179.9(4) . .
C43 C50 C83 N31 7.8(9) . .
C37 C50 C83 N31 -176.9(5) . .
C43 C50 C83 C85 -167.8(5) . .
C37 C50 C83 C85 7.4(8) . .
F19 C69 C84 F14 -0.7(9) . .
C38 C69 C84 F14 179.7(5) . .
F19 C69 C84 C80 178.7(6) . .
C38 C69 C84 C80 -0.9(9) . .
F18 C80 C84 F14 -0.6(9) . .
C66 C80 C84 F14 -179.5(5) . .
F18 C80 C84 C69 -180.0(5) . .
C66 C80 C84 C69 1.1(9) . .
C71 C55 C85 C83 1.4(6) . .
N31 C83 C85 C55 -1.3(7) . .
C50 C83 C85 C55 174.9(5) . .
F22 C53 C87 F24 -0.4(8) . .
C37 C53 C87 F24 -178.7(5) . .
F22 C53 C87 C70 -180.0(5) . .
C37 C53 C87 C70 1.7(9) . .
F28 C70 C87 F24 0.5(9) . .
C60 C70 C87 F24 179.9(5) . .
F28 C70 C87 C53 -179.8(5) . .
C60 C70 C87 C53 -0.5(9) . .
F11 C48 C88 F25 -1.0(8) . .
C76 C48 C88 F25 -179.1(5) . .
F11 C48 C88 C51 -180.0(5) . .
C76 C48 C88 C51 1.9(9) . .
F9 C51 C88 F25 -3.4(8) . .
C46 C51 C88 F25 179.9(5) . .
F9 C51 C88 C48 175.6(5) . .
C46 C51 C88 C48 -1.1(9) . .
C45 C78 C89 C64 -0.1(6) . .
N35 C64 C89 C78 0.4(6) . .
C35 C64 C89 C78 179.9(6) 2_767 .
Cl1 C90 C86 Cl2 177.8(12) . .
Cl8 C96 C97 Cl7 177(2) . .
C103 Cl10 C98 C99 6.7(15) . .
Cl10 C98 C99 Cl9 -175.8(9) . .
C102 Cl9 C99 C98 -2.9(14) . .
C99 Cl9 C102 C103 8.2(15) . .
Cl9 C102 C103 Cl10 179.9(11) . .
C98 Cl10 C103 C102 -1.7(13) . .
