#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:23:19 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/01/7210118.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_7210118
loop_
_publ_author_name
'Liu, Guang-Zhen'
'Li, Shi-Hui'
'Li, Xiao-Ling'
'Xin, Ling-Yun'
'Wang, Li-Ya'
_publ_section_title
;
 Three series of MOFs featuring various metal(ii)-carboxylate chains
 cross-linked by dipyridyl-typed coligands: synthesis, structure, and
 solvent-dependent luminescence
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4571
_journal_paper_doi               10.1039/c3ce40109j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C57 H51 F6 N6 Ni2 O10'
_chemical_formula_weight         1211.46
_chemical_name_systematic
;
?
;
_space_group_IT_number           82
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.4279(14)
_cell_length_b                   27.4279(14)
_cell_length_c                   14.3090(19)
_cell_measurement_reflns_used    2079
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15.94
_cell_measurement_theta_min      2.35
_cell_volume                     10764.5(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.1005
_diffrn_reflns_av_sigmaI/netI    0.1176
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30982
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.35
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_T_max  0.9116
_exptl_absorpt_correction_T_min  0.7186
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5000
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.063
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.525(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     776
_refine_ls_number_reflns         9924
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1227
_refine_ls_R_factor_gt           0.0619
_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)+(0.0447P)²+11.0122P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1404
_reflns_number_gt                5890
_reflns_number_total             9924
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40109j.txt
_cod_data_source_block           2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      I-4
_cod_database_code               7210118
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'y, -x, -z'
'-x, -y, z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.10522(3) 0.80012(3) 0.92400(6) 0.0383(2) Uani 1 1 d . . .
Ni2 Ni 0.32231(3) 0.87470(3) 0.65334(6) 0.0412(2) Uani 1 1 d . . .
O1 O 0.12025(17) 0.84968(16) 0.8221(3) 0.0449(13) Uani 1 1 d . . .
O2 O 0.17128(19) 0.81151(18) 0.7236(4) 0.0534(14) Uani 1 1 d . . .
O3 O 0.25673(17) 0.89474(17) 0.7221(4) 0.0448(13) Uani 1 1 d . . .
O4 O 0.25475(16) 0.86466(16) 0.5802(3) 0.0426(12) Uani 1 1 d . . .
O5 O 0.34276(18) 0.83807(18) 0.4253(4) 0.0535(13) Uani 1 1 d . A .
O6 O 0.37568(17) 0.85603(18) 0.5649(4) 0.0511(13) Uani 1 1 d . A .
O7 O 0.41489(17) 0.74747(17) 0.5287(3) 0.0459(13) Uani 1 1 d . . .
O8 O 0.4739(2) 0.7752(2) 0.6185(4) 0.0704(17) Uani 1 1 d . . .
O9 O 0.12650(16) 0.74418(16) 0.8302(3) 0.0465(13) Uani 1 1 d . . .
H1W H 0.1454 0.7243 0.8574 0.070 Uiso 1 1 d R . .
H2W H 0.1435 0.7575 0.7878 0.070 Uiso 1 1 d R . .
O10 O 0.5493(3) 0.7084(3) 0.6348(6) 0.138(4) Uani 1 1 d . . .
H3W H 0.5644 0.7223 0.6792 0.207 Uiso 1 1 d R . .
H4W H 0.5256 0.7280 0.6316 0.207 Uiso 1 1 d R . .
F1 F 0.1044(3) 1.0502(2) 0.5475(5) 0.136(3) Uani 1 1 d U . .
F2 F 0.1113(3) 1.0046(3) 0.4311(6) 0.163(3) Uani 1 1 d U . .
F3 F 0.1722(3) 1.0345(3) 0.4846(7) 0.166(3) Uani 1 1 d U . .
N1 N 0.0337(2) 0.7978(2) 0.8638(4) 0.0400(14) Uani 1 1 d . . .
N3 N 0.1779(2) 0.8008(2) 0.9757(4) 0.0427(15) Uani 1 1 d . . .
N4 N 0.5529(2) 0.8174(2) 0.9088(4) 0.0429(15) Uani 1 1 d . . .
N5 N 0.0862(2) 0.8593(2) 1.0132(4) 0.0446(15) Uani 1 1 d . . .
N6 N 0.3735(2) 0.8995(2) 0.7510(4) 0.0465(16) Uani 1 1 d . . .
C1 C 0.1438(2) 0.8911(2) 0.6876(5) 0.0376(17) Uani 1 1 d . . .
C2 C 0.1837(2) 0.9066(2) 0.6354(5) 0.0382(17) Uani 1 1 d . . .
C3 C 0.1791(3) 0.9468(3) 0.5792(6) 0.052(2) Uani 1 1 d . . .
H3 H 0.2058 0.9567 0.5437 0.062 Uiso 1 1 calc R . .
C4 C 0.1371(3) 0.9724(3) 0.5737(6) 0.057(2) Uani 1 1 d . . .
C5 C 0.0966(3) 0.9567(3) 0.6229(6) 0.056(2) Uani 1 1 d . . .
H5 H 0.0671 0.9732 0.6179 0.067 Uiso 1 1 calc R . .
C6 C 0.1005(3) 0.9165(3) 0.6791(5) 0.049(2) Uani 1 1 d . . .
H6 H 0.0734 0.9060 0.7124 0.059 Uiso 1 1 calc R . .
C7 C 0.1459(3) 0.8467(3) 0.7492(6) 0.0416(18) Uani 1 1 d . . .
C8 C 0.2343(2) 0.8856(2) 0.6470(5) 0.0344(16) Uani 1 1 d . . .
C9 C 0.1334(4) 1.0167(4) 0.5148(9) 0.096(3) Uani 1 1 d U . .
C10 C 0.4284(3) 0.8442(3) 0.4382(5) 0.0447(19) Uani 1 1 d . A .
C11 C 0.4632(2) 0.8125(2) 0.4714(5) 0.0414(18) Uani 1 1 d . . .
C12 C 0.5104(3) 0.8138(3) 0.4353(6) 0.055(2) Uani 1 1 d . A .
H12 H 0.5340 0.7926 0.4583 0.066 Uiso 1 1 calc R . .
C13 C 0.5223(3) 0.8463(3) 0.3659(7) 0.068(3) Uani 1 1 d . . .
C18' C 0.5034(14) 0.9217(18) 0.280(3) 0.110(15) Uani 0.317(6) 1 d P A 2
F4' F 0.4745(12) 0.9636(11) 0.286(2) 0.178(13) Uani 0.317(6) 1 d P A 2
F5' F 0.5483(8) 0.9443(11) 0.3080(16) 0.141(11) Uani 0.317(6) 1 d P A 2
F6' F 0.5145(13) 0.9119(12) 0.199(2) 0.195(14) Uani 0.317(6) 1 d P A 2
C14 C 0.4880(3) 0.8792(4) 0.3330(7) 0.081(3) Uani 1 1 d . A .
C18 C 0.5712(4) 0.8472(6) 0.3261(10) 0.062(4) Uani 0.683(6) 1 d P A 1
F4 F 0.5922(3) 0.8893(3) 0.3402(7) 0.106(3) Uani 0.683(6) 1 d P A 1
F5 F 0.6004(3) 0.8126(4) 0.3613(7) 0.104(3) Uani 0.683(6) 1 d P A 1
F6 F 0.5727(3) 0.8405(3) 0.2358(6) 0.096(3) Uani 0.683(6) 1 d P A 1
C15 C 0.4408(3) 0.8775(3) 0.3699(7) 0.074(3) Uani 1 1 d . . .
H15 H 0.4173 0.8992 0.3481 0.089 Uiso 1 1 calc R A .
C16 C 0.3773(3) 0.8459(3) 0.4780(6) 0.046(2) Uani 1 1 d . . .
C17 C 0.4503(3) 0.7757(3) 0.5448(6) 0.046(2) Uani 1 1 d . . .
C19 C 0.0282(3) 0.7872(3) 0.7733(6) 0.061(2) Uani 1 1 d . . .
H19 H 0.0559 0.7817 0.7374 0.073 Uiso 1 1 calc R . .
C20 C -0.0173(3) 0.7841(3) 0.7300(7) 0.072(3) Uani 1 1 d . . .
H20 H -0.0191 0.7764 0.6668 0.086 Uiso 1 1 calc R . .
C21 C -0.0596(3) 0.7923(3) 0.7803(7) 0.064(2) Uani 1 1 d . . .
C22 C -0.0532(3) 0.8045(3) 0.8724(6) 0.060(2) Uani 1 1 d . . .
H22 H -0.0803 0.8114 0.9093 0.072 Uiso 1 1 calc R . .
C23 C -0.0076(3) 0.8065(2) 0.9106(6) 0.0458(19) Uani 1 1 d . . .
H23 H -0.0051 0.8146 0.9736 0.055 Uiso 1 1 calc R . .
C24 C -0.1103(3) 0.7878(4) 0.7350(8) 0.083(3) Uani 1 1 d . . .
H24A H -0.1109 0.7590 0.6955 0.100 Uiso 1 1 calc R . .
H24B H -0.1346 0.7836 0.7835 0.100 Uiso 1 1 calc R . .
C25 C -0.1229(3) 0.8311(3) 0.6781(7) 0.075(3) Uani 1 1 d . . .
H25A H -0.0968 0.8374 0.6339 0.090 Uiso 1 1 calc R . .
H25B H -0.1255 0.8593 0.7188 0.090 Uiso 1 1 calc R . .
C26 C -0.1705(3) 0.8249(3) 0.6250(6) 0.064(2) Uani 1 1 d . . .
H26A H -0.1737 0.8517 0.5813 0.076 Uiso 1 1 calc R . .
H26B H -0.1684 0.7951 0.5886 0.076 Uiso 1 1 calc R . .
C27 C -0.2775(3) 0.8622(3) 0.7773(5) 0.0430(19) Uani 1 1 d . . .
H27 H -0.2881 0.8902 0.8077 0.052 Uiso 1 1 calc R . .
C28 C -0.2338(3) 0.8632(3) 0.7301(6) 0.050(2) Uani 1 1 d . . .
H28 H -0.2156 0.8919 0.7295 0.060 Uiso 1 1 calc R . .
C29 C -0.2161(3) 0.8227(3) 0.6835(5) 0.049(2) Uani 1 1 d . . .
C30 C -0.2444(3) 0.7811(3) 0.6899(5) 0.049(2) Uani 1 1 d . . .
H30 H -0.2342 0.7524 0.6615 0.059 Uiso 1 1 calc R . .
C31 C -0.2877(3) 0.7823(3) 0.7382(5) 0.049(2) Uani 1 1 d . . .
H31 H -0.3059 0.7537 0.7412 0.058 Uiso 1 1 calc R . .
N2 N -0.3054(2) 0.8216(2) 0.7809(4) 0.0416(15) Uani 1 1 d . . .
C33 C 0.2085(3) 0.8379(3) 0.9622(5) 0.0462(19) Uani 1 1 d . . .
H33 H 0.1970 0.8656 0.9317 0.055 Uiso 1 1 calc R . .
C34 C 0.2559(3) 0.8373(3) 0.9911(6) 0.051(2) Uani 1 1 d . . .
H34 H 0.2757 0.8641 0.9791 0.062 Uiso 1 1 calc R . .
C35 C 0.2749(3) 0.7975(3) 1.0380(5) 0.0452(19) Uani 1 1 d . . .
C36 C 0.2432(3) 0.7585(3) 1.0500(5) 0.049(2) Uani 1 1 d . . .
H36 H 0.2541 0.7300 1.0782 0.059 Uiso 1 1 calc R . .
C37 C 0.1961(3) 0.7620(3) 1.0203(5) 0.0439(19) Uani 1 1 d . . .
H37 H 0.1754 0.7359 1.0317 0.053 Uiso 1 1 calc R . .
C38 C 0.3264(3) 0.7927(3) 1.0749(6) 0.069(3) Uani 1 1 d . . .
H38A H 0.3309 0.7594 1.0961 0.083 Uiso 1 1 calc R . .
H38B H 0.3295 0.8137 1.1292 0.083 Uiso 1 1 calc R . .
C39 C 0.3679(2) 0.8048(3) 1.0080(6) 0.050(2) Uani 1 1 d . . .
H39A H 0.3664 0.8389 0.9906 0.060 Uiso 1 1 calc R . .
H39B H 0.3648 0.7854 0.9516 0.060 Uiso 1 1 calc R . .
C40 C 0.4167(3) 0.7941(4) 1.0551(6) 0.075(3) Uani 1 1 d . . .
H40A H 0.4178 0.8124 1.1129 0.090 Uiso 1 1 calc R . .
H40B H 0.4171 0.7598 1.0716 0.090 Uiso 1 1 calc R . .
C41 C 0.5124(3) 0.8069(3) 0.8625(6) 0.055(2) Uani 1 1 d . . .
H41 H 0.5140 0.8039 0.7979 0.066 Uiso 1 1 calc R . .
C42 C 0.4673(3) 0.8000(3) 0.9064(6) 0.057(2) Uani 1 1 d . . .
H42 H 0.4401 0.7921 0.8706 0.068 Uiso 1 1 calc R . .
C43 C 0.4626(3) 0.8048(3) 1.0017(6) 0.0448(19) Uani 1 1 d . . .
C44 C 0.5043(3) 0.8156(3) 1.0481(6) 0.059(2) Uani 1 1 d . . .
H44 H 0.5036 0.8189 1.1127 0.071 Uiso 1 1 calc R . .
C45 C 0.5477(3) 0.8216(3) 1.0010(6) 0.061(2) Uani 1 1 d . . .
H45 H 0.5752 0.8292 1.0360 0.074 Uiso 1 1 calc R . .
C46 C 0.0929(2) 0.9058(3) 0.9891(6) 0.047(2) Uani 1 1 d . . .
H46 H 0.1078 0.9125 0.9322 0.056 Uiso 1 1 calc R . .
C47 C 0.0789(3) 0.9442(3) 1.0439(6) 0.057(2) Uani 1 1 d . . .
H47 H 0.0837 0.9759 1.0227 0.068 Uiso 1 1 calc R . .
C48 C 0.0578(3) 0.9367(3) 1.1301(6) 0.057(2) Uani 1 1 d . . .
C49 C 0.0509(3) 0.8889(3) 1.1554(6) 0.061(2) Uani 1 1 d . . .
H49 H 0.0360 0.8818 1.2122 0.073 Uiso 1 1 calc R . .
C50 C 0.0654(3) 0.8514(3) 1.0988(5) 0.056(2) Uani 1 1 d . . .
H50 H 0.0609 0.8195 1.1191 0.067 Uiso 1 1 calc R . .
C51 C 0.0415(4) 0.9786(4) 1.1894(8) 0.101(4) Uani 1 1 d U . .
H51A H 0.0695 0.9883 1.2247 0.121 Uiso 1 1 d R . .
H51B H 0.0186 0.9654 1.2332 0.121 Uiso 1 1 d R . .
C52 C 0.0210(5) 1.0156(7) 1.1548(13) 0.064(5) Uani 0.50 1 d PU . .
H52A H 0.0130 1.0374 1.2049 0.096 Uiso 0.50 1 d PR . .
H52B H 0.0441 1.0308 1.1141 0.096 Uiso 0.50 1 d PR . .
C53 C 0.3594(3) 0.9243(3) 0.8264(6) 0.062(2) Uani 1 1 d . . .
H53 H 0.3261 0.9282 0.8365 0.074 Uiso 1 1 calc R . .
C54 C 0.3911(4) 0.9444(3) 0.8900(6) 0.074(3) Uani 1 1 d . . .
H54 H 0.3791 0.9618 0.9408 0.088 Uiso 1 1 calc R . .
C55 C 0.4404(4) 0.9387(3) 0.8783(7) 0.065(3) Uani 1 1 d . . .
C56 C 0.4551(3) 0.9128(3) 0.7996(7) 0.061(2) Uani 1 1 d . . .
H56 H 0.4882 0.9079 0.7885 0.073 Uiso 1 1 calc R . .
C57 C 0.4216(3) 0.8945(3) 0.7384(6) 0.056(2) Uani 1 1 d . . .
H57 H 0.4326 0.8778 0.6858 0.067 Uiso 1 1 calc R . .
C58 C 0.4758(4) 0.9593(4) 0.9488(9) 0.112(4) Uani 1 1 d U . .
H58A H 0.4880 0.9331 0.9863 0.135 Uiso 1 1 d R . .
H58B H 0.4579 0.9808 0.9887 0.135 Uiso 1 1 d R . .
C59 C 0.5132(8) 0.9834(7) 0.9072(14) 0.095(7) Uani 0.50 1 d PU . .
H59A H 0.5337 0.9957 0.9560 0.142 Uiso 0.50 1 d PR . .
H59B H 0.5315 0.9617 0.8682 0.142 Uiso 0.50 1 d PR . .
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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Ni1 O7 175.74(19) . 7_565
O1 Ni1 O9 88.52(18) . .
O7 Ni1 O9 94.31(19) 7_565 .
O1 Ni1 N3 93.1(2) . .
O7 Ni1 N3 90.2(2) 7_565 .
O9 Ni1 N3 88.2(2) . .
O1 Ni1 N5 88.3(2) . .
O7 Ni1 N5 89.0(2) 7_565 .
O9 Ni1 N5 176.6(2) . .
N3 Ni1 N5 90.9(2) . .
O1 Ni1 N1 85.3(2) . .
O7 Ni1 N1 91.6(2) 7_565 .
O9 Ni1 N1 88.6(2) . .
N3 Ni1 N1 176.4(2) . .
N5 Ni1 N1 92.2(2) . .
O6 Ni2 N6 90.9(2) . .
O6 Ni2 O3 168.2(2) . .
N6 Ni2 O3 100.0(2) . .
O6 Ni2 N2 93.3(2) . 6_456
N6 Ni2 N2 90.0(2) . 6_456
O3 Ni2 N2 91.0(2) . 6_456
O6 Ni2 O4 106.9(2) . .
N6 Ni2 O4 161.1(2) . .
O3 Ni2 O4 61.81(18) . .
N2 Ni2 O4 95.4(2) 6_456 .
O6 Ni2 N4 91.2(2) . 6_466
N6 Ni2 N4 91.0(2) . 6_466
O3 Ni2 N4 84.3(2) . 6_466
N2 Ni2 N4 175.3(2) 6_456 6_466
O4 Ni2 N4 82.2(2) . 6_466
O6 Ni2 C8 137.1(2) . .
N6 Ni2 C8 130.5(3) . .
O3 Ni2 C8 31.3(2) . .
N2 Ni2 C8 96.7(2) 6_456 .
O4 Ni2 C8 30.8(2) . .
N4 Ni2 C8 79.2(2) 6_466 .
C7 O1 Ni1 131.4(5) . .
C8 O3 Ni2 88.1(4) . .
C8 O4 Ni2 87.5(4) . .
C16 O6 Ni2 134.3(5) . .
C17 O7 Ni1 136.6(5) . 7_564
Ni1 O9 H1W 110.1 . .
Ni1 O9 H2W 107.1 . .
H1W O9 H2W 105.6 . .
H3W O10 H4W 97.5 . .
C19 N1 C23 115.4(7) . .
C19 N1 Ni1 120.0(5) . .
C23 N1 Ni1 124.6(5) . .
C33 N3 C37 116.1(6) . .
C33 N3 Ni1 123.1(5) . .
C37 N3 Ni1 120.7(5) . .
C41 N4 C45 115.1(7) . .
C41 N4 Ni2 125.0(5) . 8_656
C45 N4 Ni2 119.7(5) . 8_656
C46 N5 C50 116.1(7) . .
C46 N5 Ni1 122.7(5) . .
C50 N5 Ni1 121.2(5) . .
C53 N6 C57 116.5(7) . .
C53 N6 Ni2 120.8(6) . .
C57 N6 Ni2 122.5(6) . .
C6 C1 C2 118.3(7) . .
C6 C1 C7 119.5(6) . .
C2 C1 C7 122.1(6) . .
C3 C2 C1 119.3(6) . .
C3 C2 C8 117.0(6) . .
C1 C2 C8 123.2(6) . .
C4 C3 C2 121.9(7) . .
C4 C3 H3 119.0 . .
C2 C3 H3 119.0 . .
C3 C4 C5 119.5(7) . .
C3 C4 C9 121.1(8) . .
C5 C4 C9 119.4(8) . .
C6 C5 C4 119.2(7) . .
C6 C5 H5 120.4 . .
C4 C5 H5 120.4 . .
C5 C6 C1 121.7(7) . .
C5 C6 H6 119.2 . .
C1 C6 H6 119.2 . .
O2 C7 O1 127.3(7) . .
O2 C7 C1 118.5(7) . .
O1 C7 C1 114.2(6) . .
O4 C8 O3 121.5(6) . .
O4 C8 C2 120.3(7) . .
O3 C8 C2 117.7(6) . .
O4 C8 Ni2 61.7(3) . .
O3 C8 Ni2 60.6(3) . .
C2 C8 Ni2 164.0(4) . .
F3 C9 F1 111.7(11) . .
F3 C9 F2 99.7(11) . .
F1 C9 F2 102.4(9) . .
F3 C9 C4 117.3(10) . .
F1 C9 C4 114.5(10) . .
F2 C9 C4 109.0(10) . .
C11 C10 C15 119.5(7) . .
C11 C10 C16 122.1(7) . .
C15 C10 C16 118.3(7) . .
C10 C11 C12 120.0(7) . .
C10 C11 C17 120.2(6) . .
C12 C11 C17 119.8(7) . .
C13 C12 C11 120.3(8) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 120.5(9) . .
C12 C13 C18 120.7(10) . .
C14 C13 C18 118.8(10) . .
F6' C18' F4' 112(4) . .
F6' C18' F5' 98(3) . .
F4' C18' F5' 96(4) . .
F6' C18' C14 113(4) . .
F4' C18' C14 117(2) . .
F5' C18' C14 117(4) . .
C18' F4' F5' 94(3) . 6_465
C18' F5' F4' 79(3) . 8_655
C13 C14 C15 118.5(9) . .
C13 C14 C18' 120.1(18) . .
C15 C14 C18' 119.6(17) . .
F6 C18 F4 105.3(12) . .
F6 C18 F5 104.7(12) . .
F4 C18 F5 107.8(11) . .
F6 C18 C13 114.4(10) . .
F4 C18 C13 111.0(11) . .
F5 C18 C13 113.0(11) . .
C10 C15 C14 121.1(8) . .
C10 C15 H15 119.4 . .
C14 C15 H15 119.4 . .
O5 C16 O6 127.5(8) . .
O5 C16 C10 118.5(7) . .
O6 C16 C10 114.0(7) . .
O8 C17 O7 123.6(8) . .
O8 C17 C11 118.5(7) . .
O7 C17 C11 117.8(7) . .
N1 C19 C20 123.0(8) . .
N1 C19 H19 118.5 . .
C20 C19 H19 118.5 . .
C21 C20 C19 120.6(8) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C22 C21 C20 115.6(8) . .
C22 C21 C24 122.7(9) . .
C20 C21 C24 121.7(9) . .
C23 C22 C21 120.8(8) . .
C23 C22 H22 119.6 . .
C21 C22 H22 119.6 . .
N1 C23 C22 124.5(8) . .
N1 C23 H23 117.7 . .
C22 C23 H23 117.7 . .
C25 C24 C21 112.2(7) . .
C25 C24 H24A 109.2 . .
C21 C24 H24A 109.2 . .
C25 C24 H24B 109.2 . .
C21 C24 H24B 109.2 . .
H24A C24 H24B 107.9 . .
C24 C25 C26 112.6(7) . .
C24 C25 H25A 109.1 . .
C26 C25 H25A 109.1 . .
C24 C25 H25B 109.1 . .
C26 C25 H25B 109.1 . .
H25A C25 H25B 107.8 . .
C29 C26 C25 116.1(7) . .
C29 C26 H26A 108.3 . .
C25 C26 H26A 108.3 . .
C29 C26 H26B 108.3 . .
C25 C26 H26B 108.3 . .
H26A C26 H26B 107.4 . .
N2 C27 C28 121.9(7) . .
N2 C27 H27 119.1 . .
C28 C27 H27 119.1 . .
C27 C28 C29 121.7(7) . .
C27 C28 H28 119.2 . .
C29 C28 H28 119.2 . .
C30 C29 C28 115.7(7) . .
C30 C29 C26 122.5(7) . .
C28 C29 C26 121.7(7) . .
C31 C30 C29 120.0(7) . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
N2 C31 C30 124.4(7) . .
N2 C31 H31 117.8 . .
C30 C31 H31 117.8 . .
C31 N2 C27 116.3(6) . .
C31 N2 Ni2 122.6(5) . 8_556
C27 N2 Ni2 121.1(5) . 8_556
N3 C33 C34 123.1(7) . .
N3 C33 H33 118.5 . .
C34 C33 H33 118.5 . .
C33 C34 C35 121.2(7) . .
C33 C34 H34 119.4 . .
C35 C34 H34 119.4 . .
C34 C35 C36 115.4(7) . .
C34 C35 C38 126.3(7) . .
C36 C35 C38 118.3(7) . .
C37 C36 C35 120.1(7) . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
N3 C37 C36 124.1(7) . .
N3 C37 H37 118.0 . .
C36 C37 H37 118.0 . .
C35 C38 C39 117.3(7) . .
C35 C38 H38A 108.0 . .
C39 C38 H38A 108.0 . .
C35 C38 H38B 108.0 . .
C39 C38 H38B 108.0 . .
H38A C38 H38B 107.2 . .
C38 C39 C40 109.6(6) . .
C38 C39 H39A 109.8 . .
C40 C39 H39A 109.8 . .
C38 C39 H39B 109.8 . .
C40 C39 H39B 109.8 . .
H39A C39 H39B 108.2 . .
C43 C40 C39 118.2(7) . .
C43 C40 H40A 107.7 . .
C39 C40 H40A 107.7 . .
C43 C40 H40B 107.7 . .
C39 C40 H40B 107.7 . .
H40A C40 H40B 107.1 . .
N4 C41 C42 123.1(7) . .
N4 C41 H41 118.5 . .
C42 C41 H41 118.5 . .
C43 C42 C41 120.8(7) . .
C43 C42 H42 119.6 . .
C41 C42 H42 119.6 . .
C44 C43 C42 115.4(7) . .
C44 C43 C40 120.1(7) . .
C42 C43 C40 124.2(7) . .
C43 C44 C45 121.0(8) . .
C43 C44 H44 119.5 . .
C45 C44 H44 119.5 . .
N4 C45 C44 124.5(8) . .
N4 C45 H45 117.7 . .
C44 C45 H45 117.7 . .
N5 C46 C47 123.3(8) . .
N5 C46 H46 118.3 . .
C47 C46 H46 118.3 . .
C46 C47 C48 121.0(8) . .
C46 C47 H47 119.5 . .
C48 C47 H47 119.5 . .
C47 C48 C49 115.9(8) . .
C47 C48 C51 121.1(9) . .
C49 C48 C51 122.8(9) . .
C50 C49 C48 121.4(8) . .
C50 C49 H49 119.3 . .
C48 C49 H49 119.3 . .
N5 C50 C49 122.2(8) . .
N5 C50 H50 118.9 . .
C49 C50 H50 118.9 . .
C52 C51 C48 121.9(13) . .
C52 C51 C52 52.7(13) . 3_575
C48 C51 C52 101.4(9) . 3_575
C52 C51 H51A 109.8 . .
C48 C51 H51A 105.8 . .
C52 C51 H51A 152.8 3_575 .
C52 C51 H51B 105.7 . .
C48 C51 H51B 106.1 . .
C52 C51 H51B 65.7 3_575 .
H51A C51 H51B 106.6 . .
C51 C52 C52 82.9(16) . 3_575
C51 C52 C51 112.8(14) . 3_575
C52 C52 C51 44.4(9) 3_575 3_575
C51 C52 H52A 108.0 . .
C52 C52 H52A 100.9 3_575 .
C51 C52 H52A 61.3 3_575 .
C51 C52 H52B 107.1 . .
C52 C52 H52B 142.3 3_575 .
C51 C52 H52B 139.9 3_575 .
H52A C52 H52B 109.7 . .
N6 C53 C54 124.0(8) . .
N6 C53 H53 118.0 . .
C54 C53 H53 118.0 . .
C55 C54 C53 119.8(9) . .
C55 C54 H54 120.1 . .
C53 C54 H54 120.1 . .
C54 C55 C56 116.2(8) . .
C54 C55 C58 120.6(9) . .
C56 C55 C58 123.1(9) . .
C57 C56 C55 120.8(8) . .
C57 C56 H56 119.6 . .
C55 C56 H56 119.6 . .
N6 C57 C56 122.6(8) . .
N6 C57 H57 118.7 . .
C56 C57 H57 118.7 . .
C59 C58 C55 112.0(13) . .
C59 C58 C59 42.8(15) . 3_675
C55 C58 C59 103.1(11) . 3_675
C59 C58 H58A 110.3 . .
C55 C58 H58A 108.5 . .
C59 C58 H58A 145.6 3_675 .
C59 C58 H58B 110.5 . .
C55 C58 H58B 107.5 . .
C59 C58 H58B 74.4 3_675 .
H58A C58 H58B 107.9 . .
C59 C59 C58 85(2) 3_675 .
C59 C59 C58 52.3(16) 3_675 3_675
C58 C59 C58 115.3(15) . 3_675
C59 C59 H59A 95.1 3_675 .
C58 C59 H59A 107.1 . .
C58 C59 H59A 47.0 3_675 .
C59 C59 H59B 144.4 3_675 .
C58 C59 H59B 110.5 . .
C58 C59 H59B 133.0 3_675 .
H59A C59 H59B 109.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 2.035(5) .
Ni1 O7 2.062(5) 7_565
Ni1 O9 2.120(5) .
Ni1 N3 2.125(6) .
Ni1 N5 2.130(6) .
Ni1 N1 2.144(6) .
Ni2 O6 2.001(5) .
Ni2 N6 2.093(6) .
Ni2 O3 2.123(5) .
Ni2 N2 2.121(6) 6_456
Ni2 O4 2.146(5) .
Ni2 N4 2.181(6) 6_466
Ni2 C8 2.435(7) .
O1 C7 1.261(8) .
O2 C7 1.244(8) .
O3 C8 1.265(8) .
O4 C8 1.248(8) .
O5 C16 1.230(9) .
O6 C16 1.275(9) .
O7 C17 1.262(8) .
O7 Ni1 2.062(5) 7_564
O8 C17 1.238(8) .
O9 H1W 0.8465 .
O9 H2W 0.8478 .
O10 H3W 0.8481 .
O10 H4W 0.8454 .
F1 C9 1.302(12) .
F2 C9 1.383(14) .
F3 C9 1.249(12) .
N1 C19 1.336(9) .
N1 C23 1.337(8) .
N3 C33 1.335(8) .
N3 C37 1.336(8) .
N4 C41 1.325(9) .
N4 C45 1.331(10) .
N4 Ni2 2.181(6) 8_656
N5 C46 1.335(8) .
N5 C50 1.369(9) .
N6 C53 1.332(10) .
N6 C57 1.339(9) .
C1 C6 1.381(9) .
C1 C2 1.390(9) .
C1 C7 1.506(10) .
C2 C3 1.370(9) .
C2 C8 1.512(9) .
C3 C4 1.354(10) .
C3 H3 0.9300 .
C4 C5 1.384(11) .
C4 C9 1.482(13) .
C5 C6 1.367(10) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C10 C11 1.376(9) .
C10 C15 1.380(10) .
C10 C16 1.513(10) .
C11 C12 1.394(10) .
C11 C17 1.501(10) .
C12 C13 1.374(12) .
C12 H12 0.9300 .
C13 C14 1.386(12) .
C13 C18 1.459(14) .
C18' F6' 1.23(4) .
C18' F4' 1.40(4) .
C18' F5' 1.44(5) .
C18' C14 1.45(4) .
F4' F5' 1.61(4) 6_465
F5' F4' 1.61(4) 8_655
C14 C15 1.399(11) .
C18 F6 1.305(14) .
C18 F4 1.306(13) .
C18 F5 1.341(15) .
C15 H15 0.9300 .
C19 C20 1.394(11) .
C19 H19 0.9300 .
C20 C21 1.385(12) .
C20 H20 0.9300 .
C21 C22 1.370(11) .
C21 C24 1.538(11) .
C22 C23 1.367(10) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.482(11) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.520(11) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C29 1.506(10) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 N2 1.353(8) .
C27 C28 1.376(10) .
C27 H27 0.9300 .
C28 C29 1.385(10) .
C28 H28 0.9300 .
C29 C30 1.382(10) .
C30 C31 1.374(10) .
C30 H30 0.9300 .
C31 N2 1.330(9) .
C31 H31 0.9300 .
N2 Ni2 2.121(6) 8_556
C33 C34 1.364(9) .
C33 H33 0.9300 .
C34 C35 1.383(10) .
C34 H34 0.9300 .
C35 C36 1.390(10) .
C35 C38 1.514(10) .
C36 C37 1.362(9) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.523(10) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.526(9) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 C43 1.503(10) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C41 C42 1.400(10) .
C41 H41 0.9300 .
C42 C43 1.376(10) .
C42 H42 0.9300 .
C43 C44 1.353(10) .
C44 C45 1.377(10) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 C47 1.368(10) .
C46 H46 0.9300 .
C47 C48 1.378(11) .
C47 H47 0.9300 .
C48 C49 1.373(11) .
C48 C51 1.498(12) .
C49 C50 1.368(10) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 C52 1.262(18) .
C51 C52 1.791(18) 3_575
C51 H51A 0.9564 .
C51 H51B 0.9570 .
C52 C52 1.44(3) 3_575
C52 C51 1.791(18) 3_575
C52 H52A 0.9577 .
C52 H52B 0.9568 .
C53 C54 1.373(11) .
C53 H53 0.9300 .
C54 C55 1.374(12) .
C54 H54 0.9300 .
C55 C56 1.390(12) .
C55 C58 1.510(13) .
C56 C57 1.366(11) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C58 C59 1.36(2) .
C58 C59 1.71(2) 3_675
C58 H58A 0.9566 .
C58 H58B 0.9569 .
C59 C59 1.17(4) 3_675
C59 C58 1.71(2) 3_675
C59 H59A 0.9576 .
C59 H59B 0.9566 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O10 H4W O8 0.85 1.93 2.773(9) 176.2 .
O10 H3W O3 0.85 2.04 2.881(8) 175.1 8_656
O9 H2W O2 0.85 1.90 2.691(6) 154.2 .
O9 H1W O5 0.85 1.99 2.766(7) 151.0 7_565
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
O7 Ni1 O1 C7 -151(2) 7_565 .
O9 Ni1 O1 C7 -19.2(6) . .
N3 Ni1 O1 C7 68.9(6) . .
N5 Ni1 O1 C7 159.6(6) . .
N1 Ni1 O1 C7 -108.0(6) . .
O6 Ni2 O3 C8 10.7(12) . .
N6 Ni2 O3 C8 168.5(4) . .
N2 Ni2 O3 C8 -101.3(4) 6_456 .
O4 Ni2 O3 C8 -5.8(3) . .
N4 Ni2 O3 C8 78.5(4) 6_466 .
O6 Ni2 O4 C8 -170.7(4) . .
N6 Ni2 O4 C8 -11.8(8) . .
O3 Ni2 O4 C8 5.8(4) . .
N2 Ni2 O4 C8 94.1(4) 6_456 .
N4 Ni2 O4 C8 -81.9(4) 6_466 .
N6 Ni2 O6 C16 -163.9(7) . .
O3 Ni2 O6 C16 -5.7(14) . .
N2 Ni2 O6 C16 106.0(7) 6_456 .
O4 Ni2 O6 C16 9.4(7) . .
N4 Ni2 O6 C16 -72.8(7) 6_466 .
C8 Ni2 O6 C16 2.5(8) . .
O1 Ni1 N1 C19 55.8(6) . .
O7 Ni1 N1 C19 -127.1(6) 7_565 .
O9 Ni1 N1 C19 -32.9(6) . .
N3 Ni1 N1 C19 -7(4) . .
N5 Ni1 N1 C19 143.8(6) . .
O1 Ni1 N1 C23 -123.8(6) . .
O7 Ni1 N1 C23 53.3(6) 7_565 .
O9 Ni1 N1 C23 147.5(6) . .
N3 Ni1 N1 C23 173(4) . .
N5 Ni1 N1 C23 -35.8(6) . .
O1 Ni1 N3 C33 23.0(6) . .
O7 Ni1 N3 C33 -154.3(6) 7_565 .
O9 Ni1 N3 C33 111.4(6) . .
N5 Ni1 N3 C33 -65.3(6) . .
N1 Ni1 N3 C33 86(4) . .
O1 Ni1 N3 C37 -153.7(5) . .
O7 Ni1 N3 C37 29.1(6) 7_565 .
O9 Ni1 N3 C37 -65.2(5) . .
N5 Ni1 N3 C37 118.0(6) . .
N1 Ni1 N3 C37 -91(4) . .
O1 Ni1 N5 C46 -6.9(6) . .
O7 Ni1 N5 C46 176.4(6) 7_565 .
O9 Ni1 N5 C46 13(4) . .
N3 Ni1 N5 C46 86.2(6) . .
N1 Ni1 N5 C46 -92.1(6) . .
O1 Ni1 N5 C50 172.0(6) . .
O7 Ni1 N5 C50 -4.7(5) 7_565 .
O9 Ni1 N5 C50 -169(3) . .
N3 Ni1 N5 C50 -94.9(6) . .
N1 Ni1 N5 C50 86.8(6) . .
O6 Ni2 N6 C53 170.3(6) . .
O3 Ni2 N6 C53 -5.3(6) . .
N2 Ni2 N6 C53 -96.4(6) 6_456 .
O4 Ni2 N6 C53 10.4(10) . .
N4 Ni2 N6 C53 79.1(6) 6_466 .
C8 Ni2 N6 C53 2.5(7) . .
O6 Ni2 N6 C57 -4.9(6) . .
O3 Ni2 N6 C57 179.5(6) . .
N2 Ni2 N6 C57 88.5(6) 6_456 .
O4 Ni2 N6 C57 -164.7(6) . .
N4 Ni2 N6 C57 -96.1(6) 6_466 .
C8 Ni2 N6 C57 -172.7(5) . .
C6 C1 C2 C3 1.3(10) . .
C7 C1 C2 C3 178.6(7) . .
C6 C1 C2 C8 172.8(7) . .
C7 C1 C2 C8 -9.9(10) . .
C1 C2 C3 C4 1.0(11) . .
C8 C2 C3 C4 -171.0(7) . .
C2 C3 C4 C5 -2.9(13) . .
C2 C3 C4 C9 178.0(9) . .
C3 C4 C5 C6 2.5(13) . .
C9 C4 C5 C6 -178.3(9) . .
C4 C5 C6 C1 -0.3(12) . .
C2 C1 C6 C5 -1.6(11) . .
C7 C1 C6 C5 -179.0(7) . .
Ni1 O1 C7 O2 -4.1(11) . .
Ni1 O1 C7 C1 174.9(4) . .
C6 C1 C7 O2 142.9(7) . .
C2 C1 C7 O2 -34.4(10) . .
C6 C1 C7 O1 -36.1(9) . .
C2 C1 C7 O1 146.6(7) . .
Ni2 O4 C8 O3 -10.2(6) . .
Ni2 O4 C8 C2 161.7(5) . .
Ni2 O3 C8 O4 10.3(6) . .
Ni2 O3 C8 C2 -161.8(5) . .
C3 C2 C8 O4 -69.5(8) . .
C1 C2 C8 O4 118.8(7) . .
C3 C2 C8 O3 102.7(8) . .
C1 C2 C8 O3 -69.0(8) . .
C3 C2 C8 Ni2 23(2) . .
C1 C2 C8 Ni2 -148.4(17) . .
O6 Ni2 C8 O4 13.1(5) . .
N6 Ni2 C8 O4 175.0(3) . .
O3 Ni2 C8 O4 -170.1(6) . .
N2 Ni2 C8 O4 -89.2(4) 6_456 .
N4 Ni2 C8 O4 93.0(4) 6_466 .
O6 Ni2 C8 O3 -176.8(3) . .
N6 Ni2 C8 O3 -14.9(5) . .
N2 Ni2 C8 O3 80.9(4) 6_456 .
O4 Ni2 C8 O3 170.1(6) . .
N4 Ni2 C8 O3 -96.9(4) 6_466 .
O6 Ni2 C8 C2 -89(2) . .
N6 Ni2 C8 C2 73(2) . .
O3 Ni2 C8 C2 88(2) . .
N2 Ni2 C8 C2 169(2) 6_456 .
O4 Ni2 C8 C2 -102(2) . .
N4 Ni2 C8 C2 -9(2) 6_466 .
C3 C4 C9 F3 -12.9(17) . .
C5 C4 C9 F3 168.0(11) . .
C3 C4 C9 F1 -146.8(10) . .
C5 C4 C9 F1 34.1(15) . .
C3 C4 C9 F2 99.2(11) . .
C5 C4 C9 F2 -79.9(12) . .
C15 C10 C11 C12 -0.9(11) . .
C16 C10 C11 C12 -177.1(7) . .
C15 C10 C11 C17 -179.3(7) . .
C16 C10 C11 C17 4.5(11) . .
C10 C11 C12 C13 -0.6(11) . .
C17 C11 C12 C13 177.8(7) . .
C11 C12 C13 C14 2.1(13) . .
C11 C12 C13 C18 -178.5(9) . .
F6' C18' F4' F5' 38(4) . 6_465
F5' C18' F4' F5' 139(2) . 6_465
C14 C18' F4' F5' -96(4) . 6_465
F6' C18' F5' F4' 52(3) . 8_655
F4' C18' F5' F4' -62(3) . 8_655
C14 C18' F5' F4' 173(3) . 8_655
C12 C13 C14 C15 -2.0(15) . .
C18 C13 C14 C15 178.6(10) . .
C12 C13 C14 C18' 163(2) . .
C18 C13 C14 C18' -17(3) . .
F6' C18' C14 C13 76(5) . .
F4' C18' C14 C13 -150(3) . .
F5' C18' C14 C13 -37(4) . .
F6' C18' C14 C15 -119(3) . .
F4' C18' C14 C15 14(5) . .
F5' C18' C14 C15 128(2) . .
C12 C13 C18 F6 122.5(12) . .
C14 C13 C18 F6 -58.1(16) . .
C12 C13 C18 F4 -118.4(12) . .
C14 C13 C18 F4 61.0(14) . .
C12 C13 C18 F5 2.8(16) . .
C14 C13 C18 F5 -177.8(10) . .
C11 C10 C15 C14 0.9(13) . .
C16 C10 C15 C14 177.3(9) . .
C13 C14 C15 C10 0.5(15) . .
C18' C14 C15 C10 -164(3) . .
Ni2 O6 C16 O5 -11.7(12) . .
Ni2 O6 C16 C10 167.8(4) . .
C11 C10 C16 O5 -121.0(8) . .
C15 C10 C16 O5 62.7(10) . .
C11 C10 C16 O6 59.5(10) . .
C15 C10 C16 O6 -116.7(8) . .
Ni1 O7 C17 O8 -127.8(7) 7_564 .
Ni1 O7 C17 C11 54.0(9) 7_564 .
C10 C11 C17 O8 -124.0(8) . .
C12 C11 C17 O8 57.6(10) . .
C10 C11 C17 O7 54.3(9) . .
C12 C11 C17 O7 -124.0(7) . .
C23 N1 C19 C20 -1.7(12) . .
Ni1 N1 C19 C20 178.7(6) . .
N1 C19 C20 C21 0.4(14) . .
C19 C20 C21 C22 1.4(13) . .
C19 C20 C21 C24 -178.4(8) . .
C20 C21 C22 C23 -2.0(12) . .
C24 C21 C22 C23 177.9(8) . .
C19 N1 C23 C22 1.2(11) . .
Ni1 N1 C23 C22 -179.2(6) . .
C21 C22 C23 N1 0.7(12) . .
C22 C21 C24 C25 101.7(11) . .
C20 C21 C24 C25 -78.5(12) . .
C21 C24 C25 C26 174.1(8) . .
C24 C25 C26 C29 67.9(11) . .
N2 C27 C28 C29 0.2(11) . .
C27 C28 C29 C30 -1.8(11) . .
C27 C28 C29 C26 174.7(7) . .
C25 C26 C29 C30 -113.9(9) . .
C25 C26 C29 C28 69.9(10) . .
C28 C29 C30 C31 1.7(11) . .
C26 C29 C30 C31 -174.8(7) . .
C29 C30 C31 N2 0.1(12) . .
C30 C31 N2 C27 -1.8(11) . .
C30 C31 N2 Ni2 175.8(6) . 8_556
C28 C27 N2 C31 1.7(10) . .
C28 C27 N2 Ni2 -176.0(5) . 8_556
C37 N3 C33 C34 0.3(11) . .
Ni1 N3 C33 C34 -176.4(6) . .
N3 C33 C34 C35 -0.9(12) . .
C33 C34 C35 C36 2.2(11) . .
C33 C34 C35 C38 -179.0(8) . .
C34 C35 C36 C37 -3.1(11) . .
C38 C35 C36 C37 178.0(7) . .
C33 N3 C37 C36 -1.3(11) . .
Ni1 N3 C37 C36 175.6(6) . .
C35 C36 C37 N3 2.8(12) . .
C34 C35 C38 C39 -49.5(12) . .
C36 C35 C38 C39 129.3(8) . .
C35 C38 C39 C40 -175.7(8) . .
C38 C39 C40 C43 -178.4(8) . .
C45 N4 C41 C42 -0.7(11) . .
Ni2 N4 C41 C42 174.4(6) 8_656 .
N4 C41 C42 C43 1.1(13) . .
C41 C42 C43 C44 -1.1(12) . .
C41 C42 C43 C40 -174.7(8) . .
C39 C40 C43 C44 152.6(8) . .
C39 C40 C43 C42 -34.0(13) . .
C42 C43 C44 C45 0.7(12) . .
C40 C43 C44 C45 174.7(8) . .
C41 N4 C45 C44 0.3(12) . .
Ni2 N4 C45 C44 -175.0(6) 8_656 .
C43 C44 C45 N4 -0.4(14) . .
C50 N5 C46 C47 -1.9(11) . .
Ni1 N5 C46 C47 177.1(6) . .
N5 C46 C47 C48 1.8(12) . .
C46 C47 C48 C49 -1.6(12) . .
C46 C47 C48 C51 -178.6(8) . .
C47 C48 C49 C50 1.7(12) . .
C51 C48 C49 C50 178.7(9) . .
C46 N5 C50 C49 1.9(11) . .
Ni1 N5 C50 C49 -177.1(6) . .
C48 C49 C50 N5 -1.9(13) . .
C47 C48 C51 C52 39.6(17) . .
C49 C48 C51 C52 -137.2(13) . .
C47 C48 C51 C52 92.6(10) . 3_575
C49 C48 C51 C52 -84.2(11) . 3_575
C48 C51 C52 C52 79.5(12) . 3_575
C48 C51 C52 C51 113.0(15) . 3_575
C52 C51 C52 C51 33.5(12) 3_575 3_575
C57 N6 C53 C54 -0.1(12) . .
Ni2 N6 C53 C54 -175.5(7) . .
N6 C53 C54 C55 -1.0(14) . .
C53 C54 C55 C56 1.0(13) . .
C53 C54 C55 C58 -178.4(9) . .
C54 C55 C56 C57 0.0(12) . .
C58 C55 C56 C57 179.4(9) . .
C53 N6 C57 C56 1.2(11) . .
Ni2 N6 C57 C56 176.5(6) . .
C55 C56 C57 N6 -1.2(12) . .
C54 C55 C58 C59 -133.8(12) . .
C56 C55 C58 C59 46.8(16) . .
C54 C55 C58 C59 -89.8(12) . 3_675
C56 C55 C58 C59 90.9(12) . 3_675
C55 C58 C59 C59 85.5(13) . 3_675
C55 C58 C59 C58 129.3(15) . 3_675
C59 C58 C59 C58 43.8(13) 3_675 3_675
