#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:34:10 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179754 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/50/7005019.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_7005019
loop_
_publ_author_name
'Klingele, Julia'
'Boas, John F.'
'Pilbrow, John R.'
'Moubaraki, Boujemaa'
'Murray, Keith S.'
'Berry, Kevin J.'
'Hunter, Keith A.'
'Jameson, Geoffrey B.'
'Boyd, Peter D. W.'
'Brooker, Sally'
_publ_section_title
;
 A [2 x 2] nickel(ii) grid and a copper(ii) square result from
 differing binding modes of a pyrazine-based diamide ligand.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              633
_journal_page_last               645
_journal_paper_doi               10.1039/b614796h
_journal_year                    2007
_chemical_formula_sum            'C80 H78 B2 F8 N24 Ni4 O8'
_chemical_formula_weight         2494.27
_chemical_name_systematic
;
?
;
_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                108.8230(10)
_cell_angle_beta                 103.0400(10)
_cell_angle_gamma                90.7210(10)
_cell_formula_units_Z            4
_cell_length_a                   21.7134(3)
_cell_length_b                   21.8434(3)
_cell_length_c                   26.24680(10)
_cell_measurement_reflns_used    6588
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.71
_cell_measurement_theta_min      2.72
_cell_volume                     11429.8(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART 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  0.0996
_diffrn_reflns_av_sigmaI/netI    0.1778
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            38305
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   'Semi-empirical (SADABS)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5136
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.310
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.746
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2270
_refine_ls_number_reflns         38305
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.746
_refine_ls_R_factor_all          0.1484
_refine_ls_R_factor_gt           0.0629
_refine_ls_shift/su_max          0.430
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0775P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1392
_refine_ls_wR_factor_ref         0.1629
_reflns_number_gt                13885
_reflns_number_total             38305
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b614796h.txt
_cod_data_source_block           lgnio_nodisorder
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005019
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 0.63859(4) 0.14781(4) 0.17910(3) 0.0633(2) Uani 1 1 d . . .
Ni2 Ni 0.95872(4) 0.14270(3) 0.18129(3) 0.0555(2) Uani 1 1 d . . .
Ni3 Ni 0.61446(3) 0.41642(3) 0.08778(3) 0.0496(2) Uani 1 1 d . . .
Ni4 Ni 0.93812(3) 0.41316(3) 0.09154(3) 0.04698(19) Uani 1 1 d . . .
O1 O 0.7827(2) 0.2488(2) 0.31683(15) 0.0842(14) Uani 1 1 d . . .
H1A H 0.8371 0.2437 0.3147 0.101 Uiso 1 1 calc R . .
O2 O 0.89266(19) 0.24348(18) 0.31798(14) 0.0710(12) Uani 1 1 d . . .
O3 O 0.75808(19) 0.5306(3) 0.21841(18) 0.140(2) Uani 1 1 d . . .
H3A H 0.8135 0.5268 0.2197 0.168 Uiso 1 1 calc R . .
O4 O 0.86867(17) 0.5233(2) 0.22303(17) 0.0954(16) Uani 1 1 d . . .
O5 O 0.60280(16) 0.13417(16) 0.01431(13) 0.0519(9) Uani 1 1 d . . .
H5A H 0.5964 0.1794 -0.0023 0.062 Uiso 1 1 calc R . .
O6 O 0.59041(17) 0.22580(15) -0.01649(12) 0.0510(10) Uani 1 1 d . . .
O7 O 0.90238(16) 0.13182(15) 0.01731(13) 0.0529(10) Uani 1 1 d . . .
H7C H 0.9011 0.1781 0.0020 0.063 Uiso 1 1 calc R . .
O8 O 0.89949(16) 0.22402(16) -0.01361(13) 0.0492(9) Uani 1 1 d . . .
N1 N 0.7340(2) 0.1464(2) 0.17393(17) 0.0551(13) Uani 1 1 d . . .
N2 N 0.6864(3) 0.1958(3) 0.25828(19) 0.0728(15) Uani 1 1 d . . .
N3 N 0.5507(3) 0.1625(2) 0.1985(2) 0.0760(15) Uani 1 1 d . . .
N4 N 0.8604(2) 0.1418(2) 0.17537(19) 0.0567(12) Uani 1 1 d . . .
N5 N 0.9548(3) 0.1883(2) 0.26094(17) 0.0640(14) Uani 1 1 d . . .
N6 N 1.0588(2) 0.1594(2) 0.2035(2) 0.0673(14) Uani 1 1 d . . .
N7 N 0.71134(19) 0.4113(2) 0.08291(17) 0.0483(11) Uani 1 1 d . . .
N8 N 0.6633(2) 0.4864(2) 0.15838(18) 0.0629(13) Uani 1 1 d . . .
N9 N 0.52877(19) 0.4261(2) 0.11395(17) 0.0489(11) Uani 1 1 d . . .
N10 N 0.83850(19) 0.40928(19) 0.08481(17) 0.0417(10) Uani 1 1 d . . .
N11 N 0.9301(2) 0.48122(19) 0.16342(16) 0.0504(12) Uani 1 1 d . . .
N12 N 1.0381(2) 0.4230(2) 0.11583(18) 0.0535(12) Uani 1 1 d . . .
N13 N 0.6371(2) 0.2341(2) 0.15784(17) 0.0527(12) Uani 1 1 d . . .
N14 N 0.6056(2) 0.1135(2) 0.09458(17) 0.0571(12) Uani 1 1 d . . .
N15 N 0.6455(3) 0.0527(3) 0.1832(2) 0.0720(15) Uani 1 1 d . . .
N16 N 0.62892(18) 0.3398(2) 0.12165(16) 0.0472(11) Uani 1 1 d . . .
N17 N 0.58298(18) 0.33496(19) 0.02020(14) 0.0392(10) Uani 1 1 d . . .
N18 N 0.6046(2) 0.4757(2) 0.0350(2) 0.0575(13) Uani 1 1 d . . .
N19 N 0.9504(2) 0.2297(2) 0.16024(17) 0.0522(12) Uani 1 1 d . . .
N20 N 0.9451(2) 0.1107(2) 0.09708(16) 0.0499(11) Uani 1 1 d . . .
N21 N 0.9548(2) 0.0462(2) 0.18192(19) 0.0612(13) Uani 1 1 d . . .
N22 N 0.93935(18) 0.33550(19) 0.12489(17) 0.0423(11) Uani 1 1 d . . .
N23 N 0.93054(18) 0.3324(2) 0.02409(15) 0.0415(10) Uani 1 1 d . . .
N24 N 0.9205(2) 0.4744(2) 0.0403(2) 0.0575(13) Uani 1 1 d . . .
C1 C 0.7534(3) 0.1144(3) 0.1289(2) 0.0589(16) Uani 1 1 d . . .
H1 H 0.7227 0.0931 0.0953 0.071 Uiso 1 1 d R . .
C2 C 0.8166(3) 0.1122(3) 0.1295(2) 0.0526(15) Uani 1 1 d . . .
H2 H 0.8288 0.0889 0.0965 0.063 Uiso 1 1 d R . .
C3 C 0.8425(3) 0.1759(3) 0.2226(2) 0.0535(15) Uani 1 1 d . . .
C4 C 0.7775(3) 0.1776(3) 0.2209(2) 0.0558(16) Uani 1 1 d . . .
C5 C 0.7453(4) 0.2108(3) 0.2698(2) 0.0609(17) Uani 1 1 d . . .
C6 C 0.6552(3) 0.2218(4) 0.3045(2) 0.093(2) Uani 1 1 d . . .
H6A H 0.6410 0.2650 0.3057 0.112 Uiso 1 1 d R . .
H6B H 0.6858 0.2267 0.3401 0.112 Uiso 1 1 d R . .
C7 C 0.5990(4) 0.1741(4) 0.2967(3) 0.099(2) Uani 1 1 d . . .
H7A H 0.6129 0.1297 0.2891 0.119 Uiso 1 1 d R . .
H7B H 0.5855 0.1858 0.3319 0.119 Uiso 1 1 d R . .
C8 C 0.5421(4) 0.1722(4) 0.2510(3) 0.095(2) Uani 1 1 d . . .
C9 C 0.4829(5) 0.1817(4) 0.2615(3) 0.098(2) Uani 1 1 d . . .
H9 H 0.4754 0.1865 0.2968 0.118 Uiso 1 1 d R . .
C10 C 0.4319(4) 0.1833(4) 0.2208(4) 0.113(3) Uani 1 1 d . . .
H10 H 0.3908 0.1907 0.2272 0.136 Uiso 1 1 d R . .
C11 C 0.4392(4) 0.1754(3) 0.1672(3) 0.092(2) Uani 1 1 d . . .
H11 H 0.4053 0.1750 0.1370 0.111 Uiso 1 1 d R . .
C12 C 0.4994(4) 0.1655(3) 0.1606(3) 0.081(2) Uani 1 1 d . . .
H12 H 0.5051 0.1610 0.1248 0.097 Uiso 1 1 d R . .
C15 C 0.9018(4) 0.2052(3) 0.2713(2) 0.0621(18) Uani 1 1 d . . .
C16 C 1.0100(3) 0.2114(3) 0.3085(2) 0.0721(18) Uani 1 1 d . . .
H16A H 0.9978 0.2125 0.3429 0.086 Uiso 1 1 d R . .
H16B H 1.0260 0.2561 0.3133 0.086 Uiso 1 1 d R . .
C17 C 1.0608(3) 0.1650(3) 0.2990(2) 0.085(2) Uani 1 1 d . . .
H17A H 1.0431 0.1198 0.2901 0.102 Uiso 1 1 d R . .
H17B H 1.0933 0.1765 0.3345 0.102 Uiso 1 1 d R . .
C18 C 1.0939(4) 0.1687(3) 0.2548(3) 0.0731(19) Uani 1 1 d . . .
C19 C 1.1598(4) 0.1845(3) 0.2679(3) 0.099(3) Uani 1 1 d . . .
H19 H 1.1852 0.1904 0.3040 0.119 Uiso 1 1 d R . .
C20 C 1.1878(4) 0.1866(4) 0.2260(4) 0.117(3) Uani 1 1 d . . .
H20 H 1.2322 0.1979 0.2343 0.140 Uiso 1 1 d R . .
C21 C 1.1522(4) 0.1781(3) 0.1745(3) 0.098(2) Uani 1 1 d . . .
H21 H 1.1699 0.1784 0.1446 0.118 Uiso 1 1 d R . .
C22 C 1.0870(3) 0.1648(3) 0.1648(3) 0.076(2) Uani 1 1 d . . .
H22 H 1.0609 0.1608 0.1294 0.092 Uiso 1 1 d R . .
C31 C 0.7313(3) 0.3743(2) 0.0392(2) 0.0471(14) Uani 1 1 d . . .
H31 H 0.7010 0.3477 0.0072 0.056 Uiso 1 1 d R . .
C32 C 0.7951(3) 0.3735(2) 0.0404(2) 0.0416(13) Uani 1 1 d . . .
H32 H 0.8078 0.3469 0.0086 0.050 Uiso 1 1 d R . .
C33 C 0.8201(3) 0.4477(3) 0.1298(2) 0.0499(14) Uani 1 1 d . . .
C34 C 0.7556(3) 0.4499(2) 0.1290(2) 0.0490(14) Uani 1 1 d . . .
C35 C 0.7252(3) 0.4913(3) 0.1728(3) 0.080(2) Uani 1 1 d . . .
C36 C 0.6333(3) 0.5349(3) 0.1976(3) 0.100(3) Uani 1 1 d . . .
H36A H 0.6565 0.5783 0.2087 0.120 Uiso 1 1 d R . .
H36B H 0.6372 0.5226 0.2312 0.120 Uiso 1 1 d R . .
C37 C 0.5654(3) 0.5394(3) 0.1700(3) 0.086(2) Uani 1 1 d . . .
H37A H 0.5491 0.5751 0.1964 0.103 Uiso 1 1 d R . .
H37B H 0.5629 0.5511 0.1362 0.103 Uiso 1 1 d R . .
C38 C 0.5207(3) 0.4790(3) 0.1562(2) 0.0630(17) Uani 1 1 d . . .
C39 C 0.4751(3) 0.4782(3) 0.1856(2) 0.0680(17) Uani 1 1 d . . .
H39 H 0.4711 0.5163 0.2146 0.082 Uiso 1 1 d R . .
C40 C 0.4349(3) 0.4227(3) 0.1707(2) 0.0755(19) Uani 1 1 d . . .
H40 H 0.4049 0.4215 0.1917 0.091 Uiso 1 1 d R . .
C41 C 0.4408(3) 0.3671(3) 0.1265(2) 0.0721(18) Uani 1 1 d . . .
H41 H 0.4125 0.3290 0.1149 0.087 Uiso 1 1 d R . .
C42 C 0.4882(3) 0.3723(3) 0.0998(2) 0.0577(15) Uani 1 1 d . . .
H42 H 0.4929 0.3353 0.0701 0.069 Uiso 1 1 d R . .
C45 C 0.8756(3) 0.4868(3) 0.1756(3) 0.0616(16) Uani 1 1 d . . .
C46 C 0.9854(3) 0.5232(3) 0.2049(2) 0.0741(19) Uani 1 1 d . . .
H46A H 1.0026 0.5020 0.2325 0.089 Uiso 1 1 d R . .
H46B H 0.9717 0.5657 0.2244 0.089 Uiso 1 1 d R . .
C47 C 1.0368(3) 0.5334(3) 0.1757(2) 0.0714(18) Uani 1 1 d . . .
H47A H 1.0162 0.5456 0.1431 0.086 Uiso 1 1 d R . .
H47B H 1.0678 0.5701 0.2012 0.086 Uiso 1 1 d R . .
C48 C 1.0718(3) 0.4754(3) 0.1563(2) 0.0529(15) Uani 1 1 d . . .
C49 C 1.1371(3) 0.4763(3) 0.1808(2) 0.0617(16) Uani 1 1 d . . .
H49 H 1.1597 0.5135 0.2097 0.074 Uiso 1 1 d R . .
C50 C 1.1672(3) 0.4201(3) 0.1606(2) 0.0708(18) Uani 1 1 d . . .
H50 H 1.2111 0.4190 0.1758 0.085 Uiso 1 1 d R . .
C51 C 1.1335(3) 0.3660(3) 0.1201(2) 0.0635(17) Uani 1 1 d . . .
H51 H 1.1527 0.3271 0.1066 0.076 Uiso 1 1 d R . .
C52 C 1.0697(3) 0.3695(3) 0.0986(2) 0.0591(16) Uani 1 1 d . . .
H52 H 1.0461 0.3331 0.0693 0.071 Uiso 1 1 d R . .
C61 C 0.6485(3) 0.2937(3) 0.1931(2) 0.0661(18) Uani 1 1 d . . .
H61 H 0.6607 0.3006 0.2318 0.079 Uiso 1 1 d R . .
C62 C 0.6455(3) 0.3471(3) 0.1758(2) 0.0632(17) Uani 1 1 d . . .
H62 H 0.6538 0.3895 0.2025 0.076 Uiso 1 1 d R . .
C63 C 0.6180(2) 0.2783(3) 0.08392(19) 0.0396(13) Uani 1 1 d . . .
C64 C 0.6219(2) 0.2236(3) 0.1018(2) 0.0474(14) Uani 1 1 d . . .
C65 C 0.6098(2) 0.1544(3) 0.0673(2) 0.0525(15) Uani 1 1 d . . .
C66 C 0.5873(3) 0.0460(3) 0.0607(2) 0.0673(17) Uani 1 1 d . . .
H66A H 0.6239 0.0256 0.0477 0.081 Uiso 1 1 d R . .
H66B H 0.5527 0.0426 0.0278 0.081 Uiso 1 1 d R . .
C67 C 0.5632(3) 0.0102(3) 0.0958(2) 0.0777(19) Uani 1 1 d . . .
H67A H 0.5307 0.0352 0.1124 0.093 Uiso 1 1 d R . .
H67B H 0.5421 -0.0329 0.0710 0.093 Uiso 1 1 d R . .
C68 C 0.6135(3) 0.0016(4) 0.1423(3) 0.0717(19) Uani 1 1 d . . .
C69 C 0.6259(3) -0.0619(3) 0.1395(3) 0.084(2) Uani 1 1 d . . .
H69 H 0.6037 -0.0987 0.1098 0.101 Uiso 1 1 d R . .
C70 C 0.6742(4) -0.0717(4) 0.1815(3) 0.091(2) Uani 1 1 d . . .
H70 H 0.6847 -0.1138 0.1816 0.110 Uiso 1 1 d R . .
C71 C 0.7057(4) -0.0162(4) 0.2242(3) 0.090(2) Uani 1 1 d . . .
H71 H 0.7380 -0.0208 0.2536 0.108 Uiso 1 1 d R . .
C72 C 0.6899(3) 0.0423(3) 0.2234(3) 0.081(2) Uani 1 1 d . . .
H72 H 0.7111 0.0789 0.2538 0.097 Uiso 1 1 d R . .
C75 C 0.5958(2) 0.2787(3) 0.02507(19) 0.0425(13) Uani 1 1 d . . .
C76 C 0.5505(2) 0.3324(3) -0.03613(18) 0.0501(14) Uani 1 1 d . . .
H76A H 0.5819 0.3260 -0.0591 0.060 Uiso 1 1 d R . .
H76B H 0.5170 0.2956 -0.0535 0.060 Uiso 1 1 d R . .
C77 C 0.5224(3) 0.3960(3) -0.0338(2) 0.0560(15) Uani 1 1 d . . .
H77A H 0.4969 0.4054 -0.0057 0.067 Uiso 1 1 d R . .
H77B H 0.4932 0.3912 -0.0701 0.067 Uiso 1 1 d R . .
C78 C 0.5722(3) 0.4521(3) -0.0185(3) 0.0589(16) Uani 1 1 d . . .
C79 C 0.5849(3) 0.4765(3) -0.0584(3) 0.081(2) Uani 1 1 d . . .
H79 H 0.5629 0.4571 -0.0962 0.097 Uiso 1 1 d R . .
C80 C 0.6313(4) 0.5257(4) -0.0449(4) 0.101(3) Uani 1 1 d . . .
H80 H 0.6412 0.5432 -0.0711 0.121 Uiso 1 1 d R . .
C81 C 0.6632(3) 0.5511(3) 0.0091(4) 0.093(2) Uani 1 1 d . . .
H81 H 0.6956 0.5859 0.0210 0.111 Uiso 1 1 d R . .
C82 C 0.6487(3) 0.5266(3) 0.0494(3) 0.0751(19) Uani 1 1 d . . .
H82 H 0.6694 0.5465 0.0875 0.090 Uiso 1 1 d R . .
C91 C 0.9585(3) 0.2901(3) 0.1972(2) 0.0561(15) Uani 1 1 d . . .
H91 H 0.9676 0.2966 0.2358 0.067 Uiso 1 1 d R . .
C92 C 0.9518(2) 0.3423(3) 0.1785(2) 0.0509(15) Uani 1 1 d . . .
H92 H 0.9571 0.3850 0.2048 0.061 Uiso 1 1 d R . .
C93 C 0.9289(2) 0.2753(3) 0.0873(2) 0.0401(13) Uani 1 1 d . . .
C94 C 0.9339(2) 0.2207(2) 0.1045(2) 0.0409(13) Uani 1 1 d . . .
C95 C 0.9268(2) 0.1504(3) 0.0706(2) 0.0466(14) Uani 1 1 d . . .
C96 C 0.9443(3) 0.0423(2) 0.0624(2) 0.0548(15) Uani 1 1 d . . .
H96A H 0.9575 0.0392 0.0280 0.066 Uiso 1 1 d R . .
H96B H 0.9004 0.0215 0.0520 0.066 Uiso 1 1 d R . .
C97 C 0.9880(3) 0.0065(3) 0.0950(2) 0.0637(17) Uani 1 1 d . . .
H97A H 0.9948 -0.0359 0.0694 0.076 Uiso 1 1 d R . .
H97B H 1.0296 0.0327 0.1113 0.076 Uiso 1 1 d R . .
C98 C 0.9633(3) -0.0053(3) 0.1404(2) 0.0594(16) Uani 1 1 d . . .
C99 C 0.9524(3) -0.0696(3) 0.1398(3) 0.0734(18) Uani 1 1 d . . .
H99 H 0.9584 -0.1056 0.1099 0.088 Uiso 1 1 d R . .
C100 C 0.9303(3) -0.0801(3) 0.1818(3) 0.080(2) Uani 1 1 d . . .
H100 H 0.9222 -0.1230 0.1817 0.096 Uiso 1 1 d R . .
C101 C 0.9190(3) -0.0277(4) 0.2234(3) 0.083(2) Uani 1 1 d . . .
H101 H 0.9052 -0.0337 0.2535 0.100 Uiso 1 1 d R . .
C102 C 0.9315(3) 0.0355(3) 0.2232(2) 0.0694(18) Uani 1 1 d . . .
H102 H 0.9239 0.0718 0.2521 0.083 Uiso 1 1 d R . .
C105 C 0.9176(2) 0.2765(3) 0.0284(2) 0.0402(13) Uani 1 1 d . . .
C106 C 0.9304(3) 0.3312(2) -0.0323(2) 0.0554(15) Uani 1 1 d . . .
H10A H 0.8861 0.3236 -0.0549 0.066 Uiso 1 1 d R . .
H10B H 0.9542 0.2952 -0.0498 0.066 Uiso 1 1 d R . .
C107 C 0.9604(3) 0.3943(3) -0.0309(2) 0.0530(15) Uani 1 1 d . . .
H10C H 1.0029 0.4038 -0.0049 0.064 Uiso 1 1 d R . .
H10D H 0.9660 0.3911 -0.0680 0.064 Uiso 1 1 d R . .
C108 C 0.9221(3) 0.4497(3) -0.0135(3) 0.0627(16) Uani 1 1 d . . .
C109 C 0.8855(3) 0.4734(3) -0.0534(3) 0.0773(19) Uani 1 1 d . . .
H109 H 0.8864 0.4553 -0.0914 0.093 Uiso 1 1 d R . .
C110 C 0.8477(3) 0.5242(4) -0.0361(4) 0.103(3) Uani 1 1 d . . .
H110 H 0.8229 0.5434 -0.0605 0.124 Uiso 1 1 d R . .
C111 C 0.8488(3) 0.5497(3) 0.0187(4) 0.088(2) Uani 1 1 d . . .
H111 H 0.8254 0.5851 0.0327 0.106 Uiso 1 1 d R . .
C112 C 0.8856(3) 0.5242(3) 0.0554(3) 0.0645(17) Uani 1 1 d . . .
H112 H 0.8853 0.5424 0.0935 0.077 Uiso 1 1 d R . .
Ni5 Ni 0.21110(4) 0.68565(4) 0.44469(3) 0.0697(3) Uani 1 1 d . . .
Ni6 Ni 0.53728(4) 0.69506(3) 0.45790(3) 0.0702(3) Uani 1 1 d . . .
Ni7 Ni 0.16733(3) 0.88503(3) 0.27965(3) 0.0524(2) Uani 1 1 d . . .
Ni8 Ni 0.49103(3) 0.88869(3) 0.28691(3) 0.0520(2) Uani 1 1 d . . .
O9 O 0.3473(2) 0.81616(19) 0.57135(15) 0.0890(14) Uani 1 1 d . . .
H9A H 0.4031 0.8130 0.5749 0.107 Uiso 1 1 calc R . .
O10 O 0.4577(2) 0.81224(18) 0.57965(15) 0.0827(14) Uani 1 1 d . . .
O11 O 0.30206(19) 1.02778(17) 0.39276(14) 0.0655(11) Uani 1 1 d . . .
H11A H 0.3578 1.0261 0.3949 0.079 Uiso 1 1 calc R . .
O12 O 0.41431(18) 1.02589(17) 0.39847(14) 0.0660(11) Uani 1 1 d . . .
O13 O 0.17572(17) 0.61665(16) 0.27373(15) 0.0624(11) Uani 1 1 d . . .
H13E H 0.1644 0.6510 0.2458 0.075 Uiso 1 1 calc R . .
O14 O 0.15299(17) 0.68401(17) 0.21695(13) 0.0565(10) Uani 1 1 d . . .
O15 O 0.4972(2) 0.62220(17) 0.28721(15) 0.0759(13) Uani 1 1 d . . .
H15E H 0.4876 0.6567 0.2593 0.091 Uiso 1 1 calc R . .
O16 O 0.47878(18) 0.68717(17) 0.22812(13) 0.0654(11) Uani 1 1 d . . .
N25 N 0.3098(2) 0.6798(2) 0.44618(19) 0.0621(14) Uani 1 1 d . . .
N26 N 0.2552(3) 0.7530(3) 0.5176(2) 0.0737(16) Uani 1 1 d . . .
N28 N 0.4386(2) 0.6817(2) 0.45091(17) 0.0561(13) Uani 1 1 d . . .
N29 N 0.5259(3) 0.7603(2) 0.52956(19) 0.0713(16) Uani 1 1 d . . .
N31 N 0.2647(2) 0.8813(2) 0.27635(16) 0.0478(11) Uani 1 1 d . . .
N32 N 0.2099(3) 0.9708(2) 0.33714(17) 0.0579(13) Uani 1 1 d . . .
N33 N 0.0810(2) 0.9017(3) 0.30321(18) 0.0609(13) Uani 1 1 d . . .
N34 N 0.3921(2) 0.8808(2) 0.28070(16) 0.0505(12) Uani 1 1 d . . .
N35 N 0.4785(3) 0.9727(2) 0.34384(17) 0.0587(13) Uani 1 1 d . . .
N36 N 0.5913(2) 0.9123(2) 0.31002(16) 0.0575(13) Uani 1 1 d . . .
N37 N 0.2092(2) 0.7522(2) 0.39949(18) 0.0532(12) Uani 1 1 d . . .
N38 N 0.1819(2) 0.6271(2) 0.36415(18) 0.0628(13) Uani 1 1 d . . .
N40 N 0.1900(2) 0.8285(2) 0.33501(17) 0.0514(12) Uani 1 1 d . . .
N41 N 0.1418(2) 0.7909(2) 0.22909(16) 0.0523(12) Uani 1 1 d . . .
N42 N 0.1485(2) 0.9190(2) 0.21098(16) 0.0516(12) Uani 1 1 d . . .
N43 N 0.5161(2) 0.7581(2) 0.41003(18) 0.0574(13) Uani 1 1 d . . .
N44 N 0.5315(2) 0.6359(2) 0.37956(18) 0.0686(15) Uani 1 1 d . . .
N46 N 0.4994(2) 0.8347(2) 0.34342(17) 0.0512(12) Uani 1 1 d . . .
N47 N 0.4909(2) 0.7944(2) 0.23801(16) 0.0498(12) Uani 1 1 d . . .
N48 N 0.4714(2) 0.9209(2) 0.21725(16) 0.0507(12) Uani 1 1 d . . .
C121 C 0.3315(4) 0.6360(3) 0.4060(2) 0.0685(18) Uani 1 1 d . . .
H121 H 0.3038 0.6035 0.3759 0.082 Uiso 1 1 d R . .
C122 C 0.3955(4) 0.6383(3) 0.4094(2) 0.0609(18) Uani 1 1 d . . .
H122 H 0.4106 0.6084 0.3806 0.073 Uiso 1 1 d R . .
C123 C 0.4166(4) 0.7252(3) 0.4917(2) 0.0586(16) Uani 1 1 d . . .
C124 C 0.3521(4) 0.7246(3) 0.4894(2) 0.0634(18) Uani 1 1 d . . .
C125 C 0.3150(4) 0.7663(3) 0.5285(2) 0.069(2) Uani 1 1 d . . .
C126 C 0.2222(3) 0.7926(3) 0.5570(2) 0.082(2) Uani 1 1 d . . .
H12A H 0.2087 0.8309 0.5466 0.099 Uiso 1 1 d R . .
H12B H 0.2510 0.8087 0.5946 0.099 Uiso 1 1 d R . .
C127 C 0.1641(4) 0.7539(4) 0.5581(3) 0.101(3) Uani 1 1 d . . .
H12C H 0.1757 0.7114 0.5615 0.122 Uiso 1 1 d R . .
H12D H 0.1498 0.7785 0.5916 0.122 Uiso 1 1 d R . .
N27 N 0.1207(3) 0.7120(3) 0.4567(3) 0.0903(18) Uani 1 1 d . . .
C128 C 0.1087(5) 0.7420(4) 0.5071(4) 0.111(3) Uani 1 1 d . . .
C129 C 0.0492(6) 0.7619(6) 0.5125(5) 0.178(5) Uani 1 1 d . . .
H129 H 0.0416 0.7811 0.5483 0.214 Uiso 1 1 d R . .
C130 C 0.0012(5) 0.7534(6) 0.4656(5) 0.197(6) Uani 1 1 d . . .
H130 H -0.0390 0.7686 0.4690 0.236 Uiso 1 1 d R . .
C131 C 0.0119(5) 0.7235(5) 0.4140(5) 0.161(4) Uani 1 1 d . . .
H131 H -0.0205 0.7163 0.3811 0.193 Uiso 1 1 d R . .
C132 C 0.0715(5) 0.7045(4) 0.4124(3) 0.103(2) Uani 1 1 d . . .
H132 H 0.0790 0.6839 0.3767 0.124 Uiso 1 1 d R . .
C135 C 0.4698(4) 0.7691(3) 0.5366(2) 0.0632(18) Uani 1 1 d . . .
C136 C 0.5780(4) 0.8012(3) 0.5736(2) 0.096(2) Uani 1 1 d . . .
H13A H 0.5665 0.8083 0.6094 0.115 Uiso 1 1 d R . .
H13B H 0.5837 0.8442 0.5695 0.115 Uiso 1 1 d R . .
C137 C 0.6409(5) 0.7695(5) 0.5744(4) 0.172(5) Uani 1 1 d . . .
H13C H 0.6346 0.7250 0.5756 0.207 Uiso 1 1 d R . .
H13D H 0.6714 0.7954 0.6093 0.207 Uiso 1 1 d R . .
N30 N 0.6341(4) 0.7306(3) 0.4766(4) 0.117(3) Uani 1 1 d . . .
C138 C 0.6671(6) 0.7659(5) 0.5278(5) 0.134(4) Uani 1 1 d . . .
C139 C 0.7266(8) 0.8004(8) 0.5362(8) 0.253(10) Uani 1 1 d . . .
H139 H 0.7495 0.8239 0.5730 0.304 Uiso 1 1 d R . .
C140 C 0.7533(8) 0.8008(11) 0.4912(9) 0.299(12) Uani 1 1 d . . .
H140 H 0.7934 0.8231 0.4969 0.359 Uiso 1 1 d R . .
C141 C 0.7158(8) 0.7662(8) 0.4381(6) 0.243(7) Uani 1 1 d . . .
H141 H 0.7289 0.7656 0.4057 0.291 Uiso 1 1 d R . .
C142 C 0.6590(6) 0.7330(5) 0.4339(6) 0.160(4) Uani 1 1 d . . .
H142 H 0.6350 0.7093 0.3975 0.193 Uiso 1 1 d R . .
C151 C 0.2869(3) 0.8343(2) 0.24082(19) 0.0509(15) Uani 1 1 d . . .
H151 H 0.2579 0.8010 0.2127 0.061 Uiso 1 1 d R . .
C152 C 0.3510(3) 0.8338(3) 0.2426(2) 0.0551(15) Uani 1 1 d . . .
H152 H 0.3658 0.7994 0.2169 0.034(12) Uiso 1 1 d R . .
C153 C 0.3710(3) 0.9292(3) 0.3180(2) 0.0497(15) Uani 1 1 d . . .
C154 C 0.3061(3) 0.9293(2) 0.31601(19) 0.0480(15) Uani 1 1 d . . .
C155 C 0.2710(3) 0.9795(3) 0.3518(2) 0.0516(15) Uani 1 1 d . . .
C156 C 0.1754(3) 1.0235(3) 0.3665(2) 0.0670(17) Uani 1 1 d . . .
H15A H 0.1986 1.0662 0.3748 0.080 Uiso 1 1 d R . .
H15B H 0.1732 1.0186 0.4023 0.080 Uiso 1 1 d R . .
C157 C 0.1088(3) 1.0205(3) 0.3332(2) 0.0741(19) Uani 1 1 d . . .
H15C H 0.0903 1.0609 0.3504 0.089 Uiso 1 1 d R . .
H15D H 0.1103 1.0185 0.2953 0.089 Uiso 1 1 d R . .
C158 C 0.0674(3) 0.9627(4) 0.3290(2) 0.075(2) Uani 1 1 d . . .
C159 C 0.0129(4) 0.9707(5) 0.3510(3) 0.102(3) Uani 1 1 d . . .
H159 H 0.0033 1.0135 0.3686 0.123 Uiso 1 1 d R . .
C160 C -0.0252(4) 0.9183(6) 0.3472(3) 0.122(3) Uani 1 1 d . . .
H160 H -0.0613 0.9248 0.3625 0.147 Uiso 1 1 d R . .
C161 C -0.0104(4) 0.8569(4) 0.3219(3) 0.093(2) Uani 1 1 d . . .
H161 H -0.0368 0.8206 0.3197 0.111 Uiso 1 1 d R . .
C162 C 0.0424(4) 0.8514(4) 0.3006(2) 0.078(2) Uani 1 1 d . . .
H162 H 0.0521 0.8086 0.2830 0.094 Uiso 1 1 d R . .
C165 C 0.4241(3) 0.9796(2) 0.3565(2) 0.0555(16) Uani 1 1 d . . .
C166 C 0.5289(3) 1.0252(3) 0.3749(2) 0.0713(18) Uani 1 1 d . . .
H16C H 0.5518 1.0168 0.4087 0.086 Uiso 1 1 d R . .
H16D H 0.5107 1.0674 0.3866 0.086 Uiso 1 1 d R . .
C167 C 0.5757(3) 1.0279(3) 0.3405(2) 0.0715(18) Uani 1 1 d . . .
H16E H 0.5517 1.0262 0.3031 0.086 Uiso 1 1 d R . .
H16F H 0.6021 1.0700 0.3581 0.086 Uiso 1 1 d R . .
C168 C 0.6172(3) 0.9743(3) 0.3346(2) 0.0628(17) Uani 1 1 d . . .
C169 C 0.6836(4) 0.9860(4) 0.3534(2) 0.084(2) Uani 1 1 d . . .
H169 H 0.7020 1.0296 0.3700 0.100 Uiso 1 1 d R . .
C170 C 0.7232(4) 0.9366(5) 0.3483(3) 0.096(2) Uani 1 1 d . . .
H170 H 0.7681 0.9446 0.3603 0.115 Uiso 1 1 d R . .
C171 C 0.6946(3) 0.8734(4) 0.3227(2) 0.079(2) Uani 1 1 d . . .
H171 H 0.7190 0.8371 0.3189 0.094 Uiso 1 1 d R . .
C172 C 0.6295(3) 0.8638(3) 0.3049(2) 0.0658(17) Uani 1 1 d . . .
H172 H 0.6110 0.8202 0.2875 0.079 Uiso 1 1 d R . .
C181 C 0.2191(3) 0.8153(3) 0.4225(2) 0.0554(15) Uani 1 1 d . . .
H181 H 0.2336 0.8345 0.4616 0.067 Uiso 1 1 d R . .
C182 C 0.2080(3) 0.8552(3) 0.3893(2) 0.0581(16) Uani 1 1 d . . .
H182 H 0.2140 0.9011 0.4063 0.070 Uiso 1 1 d R . .
C183 C 0.1821(2) 0.7637(2) 0.3098(2) 0.0433(13) Uani 1 1 d . . .
C184 C 0.1910(2) 0.7237(3) 0.3431(2) 0.0499(14) Uani 1 1 d . . .
C185 C 0.1836(3) 0.6508(3) 0.3247(2) 0.0549(15) Uani 1 1 d . . .
C186 C 0.1642(3) 0.5572(3) 0.3479(2) 0.085(2) Uani 1 1 d . . .
H18A H 0.2024 0.5331 0.3463 0.102 Uiso 1 1 d R . .
H18B H 0.1345 0.5414 0.3107 0.102 Uiso 1 1 d R . .
C187 C 0.1308(4) 0.5430(3) 0.3902(3) 0.102(2) Uani 1 1 d . . .
H18C H 0.0935 0.5686 0.3889 0.123 Uiso 1 1 d R . .
H18D H 0.1132 0.4970 0.3729 0.123 Uiso 1 1 d R . .
N39 N 0.2100(3) 0.6058(3) 0.4739(2) 0.096(2) Uani 1 1 d . . .
C188 C 0.1729(5) 0.5513(4) 0.4444(3) 0.115(3) Uani 1 1 d . . .
C189 C 0.1736(6) 0.4981(4) 0.4654(4) 0.191(6) Uani 1 1 d . . .
H189 H 0.1483 0.4583 0.4448 0.230 Uiso 1 1 d R . .
C190 C 0.2130(6) 0.5083(5) 0.5175(5) 0.185(5) Uani 1 1 d . . .
H190 H 0.2124 0.4749 0.5333 0.222 Uiso 1 1 d R . .
C191 C 0.2530(6) 0.5641(5) 0.5478(4) 0.158(4) Uani 1 1 d . . .
H191 H 0.2817 0.5696 0.5825 0.190 Uiso 1 1 d R . .
C192 C 0.2477(4) 0.6106(4) 0.5229(3) 0.122(3) Uani 1 1 d . . .
H192 H 0.2734 0.6504 0.5426 0.147 Uiso 1 1 d R . .
C195 C 0.1583(2) 0.7451(3) 0.2483(2) 0.0443(13) Uani 1 1 d . . .
C196 C 0.1106(2) 0.7711(2) 0.16922(18) 0.0522(15) Uani 1 1 d . . .
H19A H 0.0834 0.7298 0.1570 0.063 Uiso 1 1 d R . .
H19B H 0.1437 0.7644 0.1480 0.063 Uiso 1 1 d R . .
C197 C 0.0707(3) 0.8247(3) 0.1582(2) 0.0560(15) Uani 1 1 d . . .
H19C H 0.0416 0.8069 0.1208 0.067 Uiso 1 1 d R . .
H19D H 0.0443 0.8371 0.1855 0.067 Uiso 1 1 d R . .
C198 C 0.1076(3) 0.8846(3) 0.1619(2) 0.0507(14) Uani 1 1 d . . .
C199 C 0.1035(3) 0.9034(3) 0.1153(2) 0.0511(15) Uani 1 1 d . . .
H199 H 0.0761 0.8782 0.0808 0.061 Uiso 1 1 d R . .
C200 C 0.1395(3) 0.9580(3) 0.1191(2) 0.0623(17) Uani 1 1 d . . .
H200 H 0.1361 0.9707 0.0872 0.075 Uiso 1 1 d R . .
C201 C 0.1797(3) 0.9939(3) 0.1692(2) 0.0619(17) Uani 1 1 d . . .
H201 H 0.2051 1.0313 0.1724 0.074 Uiso 1 1 d R . .
C202 C 0.1827(3) 0.9723(3) 0.2134(2) 0.0645(17) Uani 1 1 d . . .
H202 H 0.2091 0.9978 0.2482 0.077 Uiso 1 1 d R . .
C211 C 0.5151(3) 0.8222(3) 0.4314(2) 0.0599(16) Uani 1 1 d . . .
H211 H 0.5200 0.8419 0.4702 0.072 Uiso 1 1 d R . .
C212 C 0.5071(3) 0.8611(3) 0.3970(2) 0.0561(15) Uani 1 1 d . . .
H212 H 0.5077 0.9068 0.4133 0.067 Uiso 1 1 d R . .
C213 C 0.4974(3) 0.7699(3) 0.3206(2) 0.0522(15) Uani 1 1 d . . .
C214 C 0.5068(3) 0.7294(3) 0.3545(2) 0.0527(15) Uani 1 1 d . . .
C215 C 0.5117(3) 0.6575(3) 0.3392(3) 0.0604(16) Uani 1 1 d . . .
C216 C 0.5455(3) 0.5678(3) 0.3643(2) 0.081(2) Uani 1 1 d . . .
H21A H 0.5065 0.5403 0.3594 0.097 Uiso 1 1 d R . .
H21B H 0.5590 0.5540 0.3291 0.097 Uiso 1 1 d R . .
C217 C 0.6022(4) 0.5623(3) 0.4110(3) 0.120(3) Uani 1 1 d . . .
H21C H 0.6364 0.5976 0.4215 0.144 Uiso 1 1 d R . .
H21D H 0.6205 0.5206 0.3970 0.144 Uiso 1 1 d R . .
N45 N 0.5557(3) 0.6175(3) 0.4893(2) 0.100(2) Uani 1 1 d . . .
C218 C 0.5807(5) 0.5648(4) 0.4647(3) 0.143(4) Uani 1 1 d . . .
C219 C 0.5978(6) 0.5166(4) 0.4867(4) 0.182(5) Uani 1 1 d . . .
H219 H 0.6138 0.4789 0.4657 0.218 Uiso 1 1 d R . .
C220 C 0.5916(6) 0.5229(4) 0.5366(4) 0.198(6) Uani 1 1 d . . .
H220 H 0.6066 0.4921 0.5540 0.238 Uiso 1 1 d R . .
C221 C 0.5627(6) 0.5759(4) 0.5635(3) 0.213(6) Uani 1 1 d . . .
H221 H 0.5527 0.5801 0.5978 0.255 Uiso 1 1 d R . .
C222 C 0.5489(5) 0.6221(3) 0.5384(3) 0.150(4) Uani 1 1 d . . .
H222 H 0.5332 0.6606 0.5585 0.180 Uiso 1 1 d R . .
C225 C 0.4880(3) 0.7483(3) 0.2576(2) 0.0548(15) Uani 1 1 d . . .
C226 C 0.4885(3) 0.7747(2) 0.17786(19) 0.0563(15) Uani 1 1 d . . .
H22A H 0.4438 0.7664 0.1559 0.068 Uiso 1 1 d R . .
H22B H 0.5092 0.7340 0.1667 0.068 Uiso 1 1 d R . .
C227 C 0.5213(3) 0.8286(3) 0.16499(19) 0.0552(15) Uani 1 1 d . . .
H22C H 0.5623 0.8443 0.1928 0.066 Uiso 1 1 d R . .
H22D H 0.5302 0.8108 0.1278 0.066 Uiso 1 1 d R . .
C228 C 0.4835(3) 0.8865(3) 0.1682(2) 0.0513(14) Uani 1 1 d . . .
C229 C 0.4602(3) 0.9044(3) 0.1214(2) 0.0545(15) Uani 1 1 d . . .
H229 H 0.4681 0.8792 0.0869 0.065 Uiso 1 1 d R . .
C230 C 0.4274(3) 0.9566(3) 0.1244(2) 0.0669(18) Uani 1 1 d . . .
H230 H 0.4114 0.9683 0.0924 0.080 Uiso 1 1 d R . .
C231 C 0.4142(3) 0.9919(3) 0.1743(2) 0.0633(17) Uani 1 1 d . . .
H231 H 0.3913 1.0293 0.1778 0.076 Uiso 1 1 d R . .
C232 C 0.4382(3) 0.9724(3) 0.2197(2) 0.0591(16) Uani 1 1 d . . .
H232 H 0.4305 0.9971 0.2544 0.071 Uiso 1 1 d R . .
B1 B 0.0778(5) 0.1813(5) 0.0235(4) 0.090(3) Uani 1 1 d . . .
F11 F 0.0489(2) 0.21722(18) 0.06161(16) 0.1097(13) Uani 1 1 d . . .
F12 F 0.0728(2) 0.1169(2) 0.02312(19) 0.1404(17) Uani 1 1 d . . .
F13 F 0.0506(3) 0.1860(3) -0.0267(2) 0.161(2) Uani 1 1 d . . .
F14 F 0.1420(2) 0.2038(2) 0.0402(2) 0.1540(19) Uani 1 1 d . . .
B2 B 0.2807(5) 0.6869(4) 0.1097(3) 0.074(2) Uani 1 1 d . . .
F21 F 0.2282(2) 0.7145(3) 0.0928(2) 0.1550(19) Uani 1 1 d . . .
F22 F 0.2750(2) 0.6238(2) 0.08016(15) 0.1375(17) Uani 1 1 d . . .
F23 F 0.2942(3) 0.6984(2) 0.16417(17) 0.162(2) Uani 1 1 d . . .
F24 F 0.3278(2) 0.7188(3) 0.0983(2) 0.166(2) Uani 1 1 d . . .
B3 B 0.4305(6) 0.1838(6) 0.0206(5) 0.111(4) Uani 1 1 d . . .
F31 F 0.4821(2) 0.2185(2) 0.05711(18) 0.1141(13) Uani 1 1 d . . .
F32 F 0.4352(3) 0.1190(3) 0.0182(2) 0.163(2) Uani 1 1 d . . .
F33 F 0.3789(3) 0.2025(3) 0.0371(3) 0.195(3) Uani 1 1 d . . .
F34 F 0.4319(3) 0.1867(3) -0.0308(2) 0.174(2) Uani 1 1 d . . .
B4 B 0.8583(6) 0.0708(5) 0.3465(4) 0.100(3) Uani 1 1 d . . .
F41 F 0.85333(19) 0.0040(2) 0.32635(18) 0.1164(14) Uani 1 1 d . . .
F42 F 0.9184(3) 0.0963(3) 0.3604(2) 0.166(2) Uani 1 1 d . . .
F43 F 0.8387(4) 0.0859(3) 0.3944(3) 0.277(5) Uani 1 1 d . . .
F44 F 0.8247(3) 0.0980(3) 0.3134(3) 0.225(4) Uani 1 1 d . . .
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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 '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
N2 Ni1 N14 165.7(2) . . ?
N2 Ni1 N3 92.4(2) . . ?
N14 Ni1 N3 97.2(2) . . ?
N2 Ni1 N1 77.3(2) . . ?
N14 Ni1 N1 92.41(17) . . ?
N3 Ni1 N1 169.3(2) . . ?
N2 Ni1 N15 96.9(2) . . ?
N14 Ni1 N15 92.3(2) . . ?
N3 Ni1 N15 97.7(2) . . ?
N1 Ni1 N15 86.40(18) . . ?
N2 Ni1 N13 92.26(19) . . ?
N14 Ni1 N13 77.10(17) . . ?
N3 Ni1 N13 90.77(18) . . ?
N1 Ni1 N13 86.96(16) . . ?
N15 Ni1 N13 167.24(18) . . ?
N5 Ni2 N20 165.78(19) . . ?
N5 Ni2 N4 77.4(2) . . ?
N20 Ni2 N4 92.05(17) . . ?
N5 Ni2 N6 91.0(2) . . ?
N20 Ni2 N6 98.71(19) . . ?
N4 Ni2 N6 167.78(19) . . ?
N5 Ni2 N21 98.09(19) . . ?
N20 Ni2 N21 91.17(17) . . ?
N4 Ni2 N21 89.19(17) . . ?
N6 Ni2 N21 96.32(18) . . ?
N5 Ni2 N19 93.56(17) . . ?
N20 Ni2 N19 76.04(16) . . ?
N4 Ni2 N19 86.10(16) . . ?
N6 Ni2 N19 90.87(17) . . ?
N21 Ni2 N19 166.17(17) . . ?
N8 Ni3 N17 167.00(17) . . ?
N8 Ni3 N9 92.62(17) . . ?
N17 Ni3 N9 96.46(16) . . ?
N8 Ni3 N16 94.55(18) . . ?
N17 Ni3 N16 76.77(16) . . ?
N9 Ni3 N16 86.58(16) . . ?
N8 Ni3 N7 75.83(17) . . ?
N17 Ni3 N7 93.69(16) . . ?
N9 Ni3 N7 165.63(16) . . ?
N16 Ni3 N7 85.87(15) . . ?
N8 Ni3 N18 96.49(19) . . ?
N17 Ni3 N18 90.62(17) . . ?
N9 Ni3 N18 102.51(16) . . ?
N16 Ni3 N18 165.32(16) . . ?
N7 Ni3 N18 87.49(16) . . ?
N23 Ni4 N11 166.12(17) . . ?
N23 Ni4 N12 95.92(17) . . ?
N11 Ni4 N12 93.07(18) . . ?
N23 Ni4 N10 93.31(16) . . ?
N11 Ni4 N10 76.56(17) . . ?
N12 Ni4 N10 168.23(16) . . ?
N23 Ni4 N22 76.58(16) . . ?
N11 Ni4 N22 93.20(16) . . ?
N12 Ni4 N22 88.07(16) . . ?
N10 Ni4 N22 86.98(14) . . ?
N23 Ni4 N24 91.65(18) . . ?
N11 Ni4 N24 96.93(18) . . ?
N12 Ni4 N24 101.44(16) . . ?
N10 Ni4 N24 85.55(15) . . ?
N22 Ni4 N24 165.67(17) . . ?
C1 N1 C4 118.9(5) . . ?
C1 N1 Ni1 124.8(4) . . ?
C4 N1 Ni1 116.2(4) . . ?
C5 N2 C6 115.7(6) . . ?
C5 N2 Ni1 120.3(4) . . ?
C6 N2 Ni1 123.7(5) . . ?
C12 N3 C8 115.9(6) . . ?
C12 N3 Ni1 121.1(4) . . ?
C8 N3 Ni1 123.0(5) . . ?
C2 N4 C3 119.6(5) . . ?
C2 N4 Ni2 124.2(4) . . ?
C3 N4 Ni2 116.2(4) . . ?
C15 N5 C16 115.1(5) . . ?
C15 N5 Ni2 119.3(4) . . ?
C16 N5 Ni2 125.2(4) . . ?
C22 N6 C18 119.3(6) . . ?
C22 N6 Ni2 117.3(4) . . ?
C18 N6 Ni2 123.2(5) . . ?
C31 N7 C34 118.8(5) . . ?
C31 N7 Ni3 125.3(4) . . ?
C34 N7 Ni3 115.9(3) . . ?
C35 N8 C36 114.6(5) . . ?
C35 N8 Ni3 120.8(4) . . ?
C36 N8 Ni3 124.6(4) . . ?
C42 N9 C38 117.0(5) . . ?
C42 N9 Ni3 118.7(4) . . ?
C38 N9 Ni3 121.8(4) . . ?
C32 N10 C33 119.8(4) . . ?
C32 N10 Ni4 124.7(3) . . ?
C33 N10 Ni4 115.6(3) . . ?
C45 N11 C46 117.4(4) . . ?
C45 N11 Ni4 119.6(4) . . ?
C46 N11 Ni4 122.9(4) . . ?
C48 N12 C52 117.0(5) . . ?
C48 N12 Ni4 123.0(4) . . ?
C52 N12 Ni4 118.6(4) . . ?
C61 N13 C64 119.9(5) . . ?
C61 N13 Ni1 125.8(4) . . ?
C64 N13 Ni1 114.3(4) . . ?
C65 N14 C66 116.0(4) . . ?
C65 N14 Ni1 117.6(4) . . ?
C66 N14 Ni1 125.7(3) . . ?
C68 N15 C72 118.2(6) . . ?
C68 N15 Ni1 121.3(4) . . ?
C72 N15 Ni1 119.8(5) . . ?
C62 N16 C63 118.6(5) . . ?
C62 N16 Ni3 125.7(4) . . ?
C63 N16 Ni3 115.7(3) . . ?
C75 N17 C76 114.6(4) . . ?
C75 N17 Ni3 118.4(3) . . ?
C76 N17 Ni3 126.8(3) . . ?
C78 N18 C82 117.2(5) . . ?
C78 N18 Ni3 121.2(4) . . ?
C82 N18 Ni3 117.6(4) . . ?
C91 N19 C94 119.8(4) . . ?
C91 N19 Ni2 124.7(3) . . ?
C94 N19 Ni2 115.4(3) . . ?
C95 N20 C96 115.8(4) . . ?
C95 N20 Ni2 118.7(4) . . ?
C96 N20 Ni2 124.7(3) . . ?
C98 N21 C102 118.4(5) . . ?
C98 N21 Ni2 124.1(4) . . ?
C102 N21 Ni2 116.6(4) . . ?
C92 N22 C93 118.9(4) . . ?
C92 N22 Ni4 125.6(3) . . ?
C93 N22 Ni4 115.5(3) . . ?
C105 N23 C106 115.2(4) . . ?
C105 N23 Ni4 118.4(3) . . ?
C106 N23 Ni4 125.9(3) . . ?
C112 N24 C108 118.4(5) . . ?
C112 N24 Ni4 117.4(4) . . ?
C108 N24 Ni4 119.3(4) . . ?
N1 C1 C2 121.7(5) . . ?
N4 C2 C1 120.6(5) . . ?
N4 C3 C4 118.7(5) . . ?
N4 C3 C15 110.5(5) . . ?
C4 C3 C15 130.8(5) . . ?
N1 C4 C3 120.5(5) . . ?
N1 C4 C5 111.2(6) . . ?
C3 C4 C5 128.3(6) . . ?
N2 C5 O1 129.0(6) . . ?
N2 C5 C4 114.1(6) . . ?
O1 C5 C4 117.0(6) . . ?
N2 C6 C7 109.0(6) . . ?
C8 C7 C6 115.4(6) . . ?
N3 C8 C9 120.5(7) . . ?
N3 C8 C7 118.6(7) . . ?
C9 C8 C7 120.9(7) . . ?
C10 C9 C8 121.0(8) . . ?
C9 C10 C11 120.1(7) . . ?
C12 C11 C10 114.7(7) . . ?
N3 C12 C11 127.8(6) . . ?
N5 C15 O2 126.9(6) . . ?
N5 C15 C3 115.4(5) . . ?
O2 C15 C3 117.7(6) . . ?
N5 C16 C17 108.6(5) . . ?
C16 C17 C18 114.8(5) . . ?
N6 C18 C19 120.4(7) . . ?
N6 C18 C17 118.7(6) . . ?
C19 C18 C17 120.8(7) . . ?
C20 C19 C18 118.6(7) . . ?
C21 C20 C19 120.8(8) . . ?
C20 C21 C22 117.5(8) . . ?
N6 C22 C21 123.3(6) . . ?
N7 C31 C32 121.0(5) . . ?
N10 C32 C31 121.0(5) . . ?
N10 C33 C34 119.9(5) . . ?
N10 C33 C45 112.5(5) . . ?
C34 C33 C45 127.5(5) . . ?
N7 C34 C33 119.4(4) . . ?
N7 C34 C35 112.1(5) . . ?
C33 C34 C35 128.5(5) . . ?
O3 C35 N8 123.7(5) . . ?
O3 C35 C34 121.7(5) . . ?
N8 C35 C34 114.5(5) . . ?
N8 C36 C37 110.5(5) . . ?
C36 C37 C38 114.8(6) . . ?
N9 C38 C39 122.6(6) . . ?
N9 C38 C37 116.0(5) . . ?
C39 C38 C37 121.4(5) . . ?
C40 C39 C38 119.1(6) . . ?
C39 C40 C41 120.2(6) . . ?
C42 C41 C40 116.6(6) . . ?
N9 C42 C41 124.5(5) . . ?
O4 C45 N11 122.7(5) . . ?
O4 C45 C33 122.1(5) . . ?
N11 C45 C33 115.2(5) . . ?
N11 C46 C47 109.8(5) . . ?
C48 C47 C46 114.6(5) . . ?
N12 C48 C49 122.8(5) . . ?
N12 C48 C47 116.9(5) . . ?
C49 C48 C47 120.3(5) . . ?
C50 C49 C48 117.4(5) . . ?
C51 C50 C49 120.6(5) . . ?
C50 C51 C52 118.0(5) . . ?
N12 C52 C51 124.1(5) . . ?
N13 C61 C62 122.1(5) . . ?
N16 C62 C61 120.6(5) . . ?
N16 C63 C64 120.5(4) . . ?
N16 C63 C75 111.8(4) . . ?
C64 C63 C75 127.4(5) . . ?
N13 C64 C63 118.2(5) . . ?
N13 C64 C65 113.9(5) . . ?
C63 C64 C65 127.9(5) . . ?
O5 C65 N14 121.5(5) . . ?
O5 C65 C64 123.3(5) . . ?
N14 C65 C64 115.2(5) . . ?
N14 C66 C67 108.6(5) . . ?
C68 C67 C66 115.0(5) . . ?
N15 C68 C69 121.9(6) . . ?
N15 C68 C67 120.6(6) . . ?
C69 C68 C67 117.5(7) . . ?
C68 C69 C70 118.9(7) . . ?
C71 C70 C69 116.8(7) . . ?
C72 C71 C70 119.7(7) . . ?
C71 C72 N15 124.5(7) . . ?
O6 C75 N17 123.9(4) . . ?
O6 C75 C63 120.6(5) . . ?
N17 C75 C63 115.6(4) . . ?
N17 C76 C77 109.6(4) . . ?
C78 C77 C76 113.0(4) . . ?
N18 C78 C79 122.0(6) . . ?
N18 C78 C77 116.7(5) . . ?
C79 C78 C77 121.3(6) . . ?
C80 C79 C78 121.2(7) . . ?
C81 C80 C79 117.4(7) . . ?
C80 C81 C82 120.7(7) . . ?
N18 C82 C81 121.5(6) . . ?
N19 C91 C92 119.3(5) . . ?
N22 C92 C91 122.4(5) . . ?
N22 C93 C94 120.5(4) . . ?
N22 C93 C105 111.8(4) . . ?
C94 C93 C105 127.5(5) . . ?
N19 C94 C93 118.9(4) . . ?
N19 C94 C95 111.4(4) . . ?
C93 C94 C95 129.6(5) . . ?
N20 C95 O7 123.5(5) . . ?
N20 C95 C94 116.5(5) . . ?
O7 C95 C94 120.0(4) . . ?
N20 C96 C97 110.1(4) . . ?
C98 C97 C96 114.0(5) . . ?
N21 C98 C99 121.7(6) . . ?
N21 C98 C97 118.3(5) . . ?
C99 C98 C97 119.9(5) . . ?
C100 C99 C98 119.6(6) . . ?
C101 C100 C99 119.1(6) . . ?
C100 C101 C102 119.7(6) . . ?
N21 C102 C101 121.4(6) . . ?
O8 C105 N23 123.6(4) . . ?
O8 C105 C93 120.9(5) . . ?
N23 C105 C93 115.5(4) . . ?
N23 C106 C107 110.8(4) . . ?
C108 C107 C106 113.0(5) . . ?
N24 C108 C109 120.9(6) . . ?
N24 C108 C107 119.0(5) . . ?
C109 C108 C107 120.0(6) . . ?
C110 C109 C108 118.7(6) . . ?
C111 C110 C109 119.0(6) . . ?
C110 C111 C112 119.2(7) . . ?
N24 C112 C111 123.6(6) . . ?
N26 Ni5 N38 166.3(2) . . ?
N26 Ni5 N27 91.7(3) . . ?
N38 Ni5 N27 97.4(2) . . ?
N26 Ni5 N39 97.2(2) . . ?
N38 Ni5 N39 92.2(2) . . ?
N27 Ni5 N39 94.9(2) . . ?
N26 Ni5 N25 76.2(2) . . ?
N38 Ni5 N25 93.76(19) . . ?
N27 Ni5 N25 167.2(2) . . ?
N39 Ni5 N25 90.9(2) . . ?
N26 Ni5 N37 93.33(19) . . ?
N38 Ni5 N37 76.80(18) . . ?
N27 Ni5 N37 88.39(18) . . ?
N39 Ni5 N37 168.8(2) . . ?
N25 Ni5 N37 88.13(16) . . ?
N44 Ni6 N29 168.2(2) . . ?
N44 Ni6 N45 91.7(2) . . ?
N29 Ni6 N45 96.0(2) . . ?
N44 Ni6 N28 93.78(19) . . ?
N29 Ni6 N28 77.0(2) . . ?
N45 Ni6 N28 92.1(2) . . ?
N44 Ni6 N30 97.2(3) . . ?
N29 Ni6 N30 91.1(3) . . ?
N45 Ni6 N30 95.1(3) . . ?
N28 Ni6 N30 166.7(2) . . ?
N44 Ni6 N43 76.61(18) . . ?
N29 Ni6 N43 95.42(18) . . ?
N45 Ni6 N43 168.2(2) . . ?
N28 Ni6 N43 87.63(16) . . ?
N30 Ni6 N43 87.5(3) . . ?
N32 Ni7 N41 167.55(18) . . ?
N32 Ni7 N33 91.6(2) . . ?
N41 Ni7 N33 96.6(2) . . ?
N32 Ni7 N42 96.15(18) . . ?
N41 Ni7 N42 91.82(17) . . ?
N33 Ni7 N42 99.00(17) . . ?
N32 Ni7 N31 76.57(19) . . ?
N41 Ni7 N31 94.00(17) . . ?
N33 Ni7 N31 166.11(17) . . ?
N42 Ni7 N31 89.55(16) . . ?
N32 Ni7 N40 95.31(17) . . ?
N41 Ni7 N40 75.61(16) . . ?
N33 Ni7 N40 88.56(17) . . ?
N42 Ni7 N40 166.07(16) . . ?
N31 Ni7 N40 85.45(15) . . ?
N35 Ni8 N47 166.66(18) . . ?
N35 Ni8 N34 76.96(19) . . ?
N47 Ni8 N34 93.86(16) . . ?
N35 Ni8 N48 97.16(17) . . ?
N47 Ni8 N48 92.13(17) . . ?
N34 Ni8 N48 88.15(16) . . ?
N35 Ni8 N36 91.2(2) . . ?
N47 Ni8 N36 97.12(18) . . ?
N34 Ni8 N36 167.58(16) . . ?
N48 Ni8 N36 97.21(17) . . ?
N35 Ni8 N46 93.76(16) . . ?
N47 Ni8 N46 75.81(16) . . ?
N34 Ni8 N46 86.42(16) . . ?
N48 Ni8 N46 166.39(16) . . ?
N36 Ni8 N46 90.63(17) . . ?
C121 N25 C124 119.5(6) . . ?
C121 N25 Ni5 123.3(5) . . ?
C124 N25 Ni5 117.2(4) . . ?
C125 N26 C126 116.7(6) . . ?
C125 N26 Ni5 119.2(5) . . ?
C126 N26 Ni5 123.8(5) . . ?
C122 N28 C123 117.4(6) . . ?
C122 N28 Ni6 127.3(4) . . ?
C123 N28 Ni6 115.1(4) . . ?
C135 N29 C136 116.5(6) . . ?
C135 N29 Ni6 119.3(4) . . ?
C136 N29 Ni6 124.1(5) . . ?
C151 N31 C154 118.9(5) . . ?
C151 N31 Ni7 124.8(4) . . ?
C154 N31 Ni7 116.2(4) . . ?
C155 N32 C156 116.5(5) . . ?
C155 N32 Ni7 119.0(4) . . ?
C156 N32 Ni7 124.4(4) . . ?
C162 N33 C158 118.0(6) . . ?
C162 N33 Ni7 120.1(4) . . ?
C158 N33 Ni7 121.1(5) . . ?
C152 N34 C153 119.7(5) . . ?
C152 N34 Ni8 124.7(4) . . ?
C153 N34 Ni8 115.6(4) . . ?
C165 N35 C166 117.1(5) . . ?
C165 N35 Ni8 118.9(4) . . ?
C166 N35 Ni8 123.9(4) . . ?
C172 N36 C168 119.2(6) . . ?
C172 N36 Ni8 118.9(4) . . ?
C168 N36 Ni8 121.6(5) . . ?
C181 N37 C184 121.2(5) . . ?
C181 N37 Ni5 124.3(4) . . ?
C184 N37 Ni5 114.3(3) . . ?
C185 N38 C186 117.5(5) . . ?
C185 N38 Ni5 119.4(4) . . ?
C186 N38 Ni5 122.8(4) . . ?
C182 N40 C183 122.0(4) . . ?
C182 N40 Ni7 122.9(4) . . ?
C183 N40 Ni7 115.0(3) . . ?
C195 N41 C196 116.4(4) . . ?
C195 N41 Ni7 119.0(3) . . ?
C196 N41 Ni7 124.3(3) . . ?
C202 N42 C198 118.2(4) . . ?
C202 N42 Ni7 119.6(4) . . ?
C198 N42 Ni7 121.8(4) . . ?
C211 N43 C214 119.8(5) . . ?
C211 N43 Ni6 124.5(4) . . ?
C214 N43 Ni6 115.6(3) . . ?
C215 N44 C216 116.2(5) . . ?
C215 N44 Ni6 119.1(4) . . ?
C216 N44 Ni6 124.7(4) . . ?
C212 N46 C213 119.7(4) . . ?
C212 N46 Ni8 124.3(3) . . ?
C213 N46 Ni8 116.0(3) . . ?
C225 N47 C226 116.2(4) . . ?
C225 N47 Ni8 120.3(4) . . ?
C226 N47 Ni8 123.3(3) . . ?
C232 N48 C228 118.3(4) . . ?
C232 N48 Ni8 118.5(3) . . ?
C228 N48 Ni8 122.5(4) . . ?
N25 C121 C122 118.7(6) . . ?
N28 C122 C121 123.6(6) . . ?
N28 C123 C124 120.5(5) . . ?
N28 C123 C135 112.0(6) . . ?
C124 C123 C135 127.5(6) . . ?
N25 C124 C123 120.1(5) . . ?
N25 C124 C125 108.2(6) . . ?
C123 C124 C125 131.6(6) . . ?
N26 C125 O9 123.8(6) . . ?
N26 C125 C124 118.6(6) . . ?
O9 C125 C124 117.5(7) . . ?
N26 C126 C127 110.7(6) . . ?
C126 C127 C128 113.9(6) . . ?
C132 N27 C128 115.5(7) . . ?
C132 N27 Ni5 120.0(5) . . ?
C128 N27 Ni5 124.2(6) . . ?
N27 C128 C129 121.9(9) . . ?
N27 C128 C127 116.9(9) . . ?
C129 C128 C127 121.2(9) . . ?
C130 C129 C128 119.7(10) . . ?
C131 C130 C129 119.9(11) . . ?
C132 C131 C130 116.8(10) . . ?
N27 C132 C131 126.2(8) . . ?
N29 C135 O10 123.7(6) . . ?
N29 C135 C123 116.0(6) . . ?
O10 C135 C123 120.3(7) . . ?
N29 C136 C137 111.8(6) . . ?
C138 C137 C136 114.2(9) . . ?
C138 N30 C142 116.2(10) . . ?
C138 N30 Ni6 123.4(8) . . ?
C142 N30 Ni6 118.1(8) . . ?
N30 C138 C139 120.8(12) . . ?
N30 C138 C137 119.0(12) . . ?
C139 C138 C137 120.3(14) . . ?
C138 C139 C140 122.4(17) . . ?
C141 C140 C139 115.2(18) . . ?
C142 C141 C140 118.3(17) . . ?
N30 C142 C141 126.9(13) . . ?
N31 C151 C152 121.5(5) . . ?
N34 C152 C151 120.3(5) . . ?
N34 C153 C154 119.7(5) . . ?
N34 C153 C165 112.2(5) . . ?
C154 C153 C165 128.0(5) . . ?
N31 C154 C153 119.8(5) . . ?
N31 C154 C155 110.8(5) . . ?
C153 C154 C155 129.3(5) . . ?
O11 C155 N32 123.4(5) . . ?
O11 C155 C154 120.4(6) . . ?
N32 C155 C154 116.1(5) . . ?
N32 C156 C157 111.0(5) . . ?
C158 C157 C156 113.2(5) . . ?
N33 C158 C159 118.8(7) . . ?
N33 C158 C157 120.3(6) . . ?
C159 C158 C157 121.0(7) . . ?
C160 C159 C158 121.3(8) . . ?
C159 C160 C161 119.5(8) . . ?
C160 C161 C162 117.3(8) . . ?
N33 C162 C161 125.1(6) . . ?
O12 C165 N35 123.7(6) . . ?
O12 C165 C153 121.2(6) . . ?
N35 C165 C153 115.1(5) . . ?
N35 C166 C167 110.7(4) . . ?
C168 C167 C166 113.2(5) . . ?
N36 C168 C169 118.6(6) . . ?
N36 C168 C167 119.6(6) . . ?
C169 C168 C167 121.8(6) . . ?
C170 C169 C168 122.6(7) . . ?
C169 C170 C171 117.0(7) . . ?
C172 C171 C170 118.8(7) . . ?
N36 C172 C171 123.8(6) . . ?
N37 C181 C182 119.9(5) . . ?
N40 C182 C181 119.6(5) . . ?
N40 C183 C184 118.4(4) . . ?
N40 C183 C195 112.2(4) . . ?
C184 C183 C195 129.2(5) . . ?
N37 C184 C183 118.8(5) . . ?
N37 C184 C185 113.1(5) . . ?
C183 C184 C185 128.1(5) . . ?
O13 C185 N38 124.5(5) . . ?
O13 C185 C184 120.9(5) . . ?
N38 C185 C184 114.6(5) . . ?
N38 C186 C187 110.3(5) . . ?
C188 C187 C186 114.6(6) . . ?
C188 N39 C192 119.5(7) . . ?
C188 N39 Ni5 121.6(5) . . ?
C192 N39 Ni5 118.9(5) . . ?
N39 C188 C189 120.0(8) . . ?
N39 C188 C187 121.9(7) . . ?
C189 C188 C187 118.0(8) . . ?
C190 C189 C188 116.4(9) . . ?
C191 C190 C189 123.9(9) . . ?
C192 C191 C190 113.6(9) . . ?
N39 C192 C191 126.5(8) . . ?
N41 C195 O14 123.1(5) . . ?
N41 C195 C183 116.9(4) . . ?
O14 C195 C183 120.0(5) . . ?
N41 C196 C197 109.1(4) . . ?
C198 C197 C196 115.2(5) . . ?
N42 C198 C199 120.1(5) . . ?
N42 C198 C197 118.9(5) . . ?
C199 C198 C197 120.9(5) . . ?
C200 C199 C198 120.2(5) . . ?
C201 C200 C199 119.6(5) . . ?
C202 C201 C200 117.6(6) . . ?
N42 C202 C201 124.3(5) . . ?
N43 C211 C212 120.8(5) . . ?
N46 C212 C211 120.6(5) . . ?
N46 C213 C214 120.9(4) . . ?
N46 C213 C225 112.0(5) . . ?
C214 C213 C225 127.0(5) . . ?
N43 C214 C213 118.2(5) . . ?
N43 C214 C215 111.4(5) . . ?
C213 C214 C215 130.4(5) . . ?
N44 C215 O15 124.9(5) . . ?
N44 C215 C214 116.4(5) . . ?
O15 C215 C214 118.7(5) . . ?
N44 C216 C217 107.4(5) . . ?
C216 C217 C218 111.9(7) . . ?
C222 N45 C218 114.6(6) . . ?
C222 N45 Ni6 120.9(5) . . ?
C218 N45 Ni6 124.1(6) . . ?
N45 C218 C219 124.9(9) . . ?
N45 C218 C217 117.2(7) . . ?
C219 C218 C217 117.2(9) . . ?
C220 C219 C218 119.5(9) . . ?
C219 C220 C221 118.1(8) . . ?
C222 C221 C220 117.3(9) . . ?
N45 C222 C221 125.2(8) . . ?
N47 C225 O16 124.5(5) . . ?
N47 C225 C213 115.0(5) . . ?
O16 C225 C213 120.5(5) . . ?
N47 C226 C227 110.5(4) . . ?
C228 C227 C226 113.0(4) . . ?
N48 C228 C229 119.9(5) . . ?
N48 C228 C227 118.8(5) . . ?
C229 C228 C227 121.2(5) . . ?
C230 C229 C228 121.2(5) . . ?
C229 C230 C231 119.5(5) . . ?
C230 C231 C232 117.3(6) . . ?
N48 C232 C231 123.7(5) . . ?
F11 B1 F13 109.6(9) . . ?
F11 B1 F14 108.2(8) . . ?
F13 B1 F14 111.2(7) . . ?
F11 B1 F12 107.8(7) . . ?
F13 B1 F12 111.8(8) . . ?
F14 B1 F12 108.1(8) . . ?
F23 B2 F22 113.0(7) . . ?
F23 B2 F21 111.6(7) . . ?
F22 B2 F21 110.3(7) . . ?
F23 B2 F24 108.1(7) . . ?
F22 B2 F24 110.0(7) . . ?
F21 B2 F24 103.4(7) . . ?
F33 B3 F31 110.8(10) . . ?
F33 B3 F34 115.1(10) . . ?
F31 B3 F34 108.1(10) . . ?
F33 B3 F32 107.7(10) . . ?
F31 B3 F32 107.2(9) . . ?
F34 B3 F32 107.6(10) . . ?
F44 B4 F42 108.1(9) . . ?
F44 B4 F43 109.9(10) . . ?
F42 B4 F43 106.6(9) . . ?
F44 B4 F41 115.0(9) . . ?
F42 B4 F41 112.1(9) . . ?
F43 B4 F41 104.9(8) . . ?
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
Ni1 N2 2.022(5) . ?
Ni1 N14 2.048(4) . ?
Ni1 N3 2.088(5) . ?
Ni1 N1 2.107(5) . ?
Ni1 N15 2.120(5) . ?
Ni1 N13 2.130(4) . ?
Ni2 N5 2.027(5) . ?
Ni2 N20 2.040(4) . ?
Ni2 N4 2.105(5) . ?
Ni2 N6 2.113(5) . ?
Ni2 N21 2.114(4) . ?
Ni2 N19 2.143(4) . ?
Ni3 N8 2.034(4) . ?
Ni3 N17 2.041(4) . ?
Ni3 N9 2.115(4) . ?
Ni3 N16 2.130(4) . ?
Ni3 N7 2.138(4) . ?
Ni3 N18 2.162(5) . ?
Ni4 N23 2.030(4) . ?
Ni4 N11 2.036(4) . ?
Ni4 N12 2.107(4) . ?
Ni4 N10 2.129(4) . ?
Ni4 N22 2.143(4) . ?
Ni4 N24 2.165(4) . ?
O1 C5 1.320(7) . ?
O2 C15 1.300(6) . ?
O3 C35 1.271(6) . ?
O4 C45 1.287(6) . ?
O5 C65 1.289(5) . ?
O6 C75 1.290(5) . ?
O7 C95 1.303(5) . ?
O8 C105 1.290(5) . ?
N1 C1 1.327(6) . ?
N1 C4 1.339(6) . ?
N2 C5 1.259(7) . ?
N2 C6 1.478(7) . ?
N3 C12 1.334(7) . ?
N3 C8 1.379(7) . ?
N4 C2 1.319(6) . ?
N4 C3 1.368(6) . ?
N5 C15 1.274(7) . ?
N5 C16 1.468(6) . ?
N6 C22 1.332(7) . ?
N6 C18 1.340(7) . ?
N7 C31 1.338(5) . ?
N7 C34 1.376(6) . ?
N8 C35 1.304(6) . ?
N8 C36 1.491(6) . ?
N9 C42 1.356(6) . ?
N9 C38 1.364(6) . ?
N10 C32 1.325(5) . ?
N10 C33 1.357(6) . ?
N11 C45 1.291(6) . ?
N11 C46 1.486(6) . ?
N12 C48 1.348(6) . ?
N12 C52 1.365(6) . ?
N13 C61 1.313(6) . ?
N13 C64 1.372(6) . ?
N14 C65 1.325(6) . ?
N14 C66 1.451(6) . ?
N15 C68 1.323(7) . ?
N15 C72 1.341(7) . ?
N16 C62 1.340(6) . ?
N16 C63 1.367(6) . ?
N17 C75 1.303(6) . ?
N17 C76 1.470(5) . ?
N18 C78 1.345(6) . ?
N18 C82 1.355(7) . ?
N19 C91 1.343(6) . ?
N19 C94 1.371(5) . ?
N20 C95 1.289(6) . ?
N20 C96 1.475(6) . ?
N21 C98 1.338(6) . ?
N21 C102 1.376(6) . ?
N22 C92 1.330(5) . ?
N22 C93 1.345(5) . ?
N23 C105 1.293(5) . ?
N23 C106 1.472(5) . ?
N24 C112 1.340(6) . ?
N24 C108 1.349(6) . ?
C1 C2 1.370(7) . ?
C3 C4 1.404(7) . ?
C3 C15 1.552(8) . ?
C4 C5 1.574(7) . ?
C6 C7 1.528(8) . ?
C7 C8 1.505(9) . ?
C8 C9 1.379(9) . ?
C9 C10 1.363(9) . ?
C10 C11 1.409(9) . ?
C11 C12 1.367(8) . ?
C16 C17 1.516(7) . ?
C17 C18 1.516(8) . ?
C18 C19 1.404(9) . ?
C19 C20 1.384(10) . ?
C20 C21 1.351(9) . ?
C21 C22 1.391(8) . ?
C31 C32 1.379(6) . ?
C33 C34 1.398(7) . ?
C33 C45 1.511(7) . ?
C34 C35 1.505(7) . ?
C36 C37 1.509(7) . ?
C37 C38 1.521(8) . ?
C38 C39 1.389(7) . ?
C39 C40 1.377(7) . ?
C40 C41 1.414(7) . ?
C41 C42 1.391(7) . ?
C46 C47 1.540(7) . ?
C47 C48 1.492(7) . ?
C48 C49 1.414(7) . ?
C49 C50 1.405(7) . ?
C50 C51 1.369(7) . ?
C51 C52 1.385(7) . ?
C61 C62 1.379(7) . ?
C63 C64 1.417(7) . ?
C63 C75 1.513(6) . ?
C64 C65 1.474(7) . ?
C66 C67 1.551(7) . ?
C67 C68 1.506(8) . ?
C68 C69 1.398(8) . ?
C69 C70 1.414(8) . ?
C70 C71 1.396(8) . ?
C71 C72 1.332(8) . ?
C76 C77 1.514(6) . ?
C77 C78 1.512(7) . ?
C78 C79 1.396(8) . ?
C79 C80 1.364(9) . ?
C80 C81 1.355(9) . ?
C81 C82 1.418(8) . ?
C91 C92 1.377(6) . ?
C93 C94 1.402(6) . ?
C93 C105 1.519(6) . ?
C94 C95 1.492(7) . ?
C96 C97 1.525(6) . ?
C97 C98 1.503(7) . ?
C98 C99 1.417(7) . ?
C99 C100 1.377(7) . ?
C100 C101 1.374(8) . ?
C101 C102 1.405(8) . ?
C106 C107 1.504(6) . ?
C107 C108 1.484(7) . ?
C108 C109 1.407(8) . ?
C109 C110 1.407(9) . ?
C110 C111 1.359(9) . ?
C111 C112 1.372(8) . ?
Ni5 N26 2.016(5) . ?
Ni5 N38 2.034(4) . ?
Ni5 N27 2.116(6) . ?
Ni5 N39 2.122(5) . ?
Ni5 N25 2.141(5) . ?
Ni5 N37 2.148(4) . ?
Ni6 N44 2.019(4) . ?
Ni6 N29 2.029(5) . ?
Ni6 N45 2.117(5) . ?
Ni6 N28 2.118(5) . ?
Ni6 N30 2.123(8) . ?
Ni6 N43 2.135(4) . ?
Ni7 N32 2.035(5) . ?
Ni7 N41 2.043(4) . ?
Ni7 N33 2.104(5) . ?
Ni7 N42 2.123(4) . ?
Ni7 N31 2.136(4) . ?
Ni7 N40 2.174(4) . ?
Ni8 N35 2.026(4) . ?
Ni8 N47 2.045(4) . ?
Ni8 N34 2.118(4) . ?
Ni8 N48 2.123(4) . ?
Ni8 N36 2.132(5) . ?
Ni8 N46 2.153(4) . ?
O9 C125 1.333(7) . ?
O10 C135 1.300(6) . ?
O11 C155 1.284(6) . ?
O12 C165 1.294(5) . ?
O13 C185 1.276(6) . ?
O14 C195 1.310(5) . ?
O15 C215 1.294(6) . ?
O16 C225 1.296(6) . ?
N25 C121 1.354(7) . ?
N25 C124 1.370(7) . ?
N26 C125 1.274(7) . ?
N26 C126 1.450(7) . ?
N28 C122 1.346(6) . ?
N28 C123 1.364(6) . ?
N29 C135 1.280(7) . ?
N29 C136 1.460(7) . ?
N31 C151 1.325(6) . ?
N31 C154 1.358(6) . ?
N32 C155 1.290(7) . ?
N32 C156 1.479(6) . ?
N33 C162 1.348(7) . ?
N33 C158 1.356(7) . ?
N34 C152 1.328(6) . ?
N34 C153 1.353(6) . ?
N35 C165 1.296(7) . ?
N35 C166 1.461(6) . ?
N36 C172 1.345(7) . ?
N36 C168 1.350(7) . ?
N37 C181 1.306(6) . ?
N37 C184 1.367(6) . ?
N38 C185 1.304(6) . ?
N38 C186 1.467(6) . ?
N40 C182 1.315(6) . ?
N40 C183 1.346(6) . ?
N41 C195 1.280(6) . ?
N41 C196 1.480(5) . ?
N42 C202 1.350(6) . ?
N42 C198 1.361(6) . ?
N43 C211 1.332(6) . ?
N43 C214 1.353(6) . ?
N44 C215 1.285(7) . ?
N44 C216 1.466(6) . ?
N46 C212 1.306(6) . ?
N46 C213 1.343(6) . ?
N47 C225 1.277(6) . ?
N47 C226 1.484(5) . ?
N48 C232 1.335(6) . ?
N48 C228 1.351(6) . ?
C121 C122 1.372(8) . ?
C123 C124 1.390(8) . ?
C123 C135 1.507(8) . ?
C124 C125 1.522(8) . ?
C126 C127 1.521(8) . ?
C127 C128 1.533(10) . ?
N27 C132 1.355(8) . ?
N27 C128 1.359(8) . ?
C128 C129 1.391(11) . ?
C129 C130 1.378(12) . ?
C130 C131 1.375(11) . ?
C131 C132 1.369(10) . ?
C136 C137 1.537(10) . ?
C137 C138 1.443(13) . ?
N30 C138 1.339(11) . ?
N30 C142 1.366(12) . ?
C138 C139 1.423(16) . ?
C139 C140 1.43(2) . ?
C140 C141 1.404(18) . ?
C141 C142 1.386(15) . ?
C151 C152 1.381(7) . ?
C153 C154 1.398(7) . ?
C153 C165 1.511(7) . ?
C154 C155 1.531(7) . ?
C156 C157 1.500(7) . ?
C157 C158 1.499(8) . ?
C158 C159 1.418(9) . ?
C159 C160 1.367(10) . ?
C160 C161 1.370(10) . ?
C161 C162 1.375(8) . ?
C166 C167 1.515(7) . ?
C167 C168 1.477(8) . ?
C168 C169 1.406(8) . ?
C169 C170 1.380(9) . ?
C170 C171 1.390(8) . ?
C171 C172 1.377(8) . ?
C181 C182 1.408(7) . ?
C183 C184 1.410(6) . ?
C183 C195 1.493(6) . ?
C184 C185 1.503(7) . ?
C186 C187 1.560(8) . ?
C187 C188 1.460(9) . ?
N39 C188 1.330(8) . ?
N39 C192 1.331(8) . ?
C188 C189 1.435(9) . ?
C189 C190 1.387(12) . ?
C190 C191 1.381(12) . ?
C191 C192 1.368(10) . ?
C196 C197 1.529(6) . ?
C197 C198 1.490(7) . ?
C198 C199 1.396(7) . ?
C199 C200 1.383(7) . ?
C200 C201 1.380(7) . ?
C201 C202 1.374(7) . ?
C211 C212 1.413(7) . ?
C213 C214 1.429(7) . ?
C213 C225 1.530(6) . ?
C214 C215 1.503(7) . ?
C216 C217 1.566(8) . ?
C217 C218 1.567(11) . ?
N45 C222 1.301(8) . ?
N45 C218 1.315(9) . ?
C218 C219 1.372(10) . ?
C219 C220 1.312(11) . ?
C220 C221 1.385(11) . ?
C221 C222 1.375(9) . ?
C226 C227 1.533(7) . ?
C227 C228 1.508(7) . ?
C228 C229 1.395(7) . ?
C229 C230 1.343(7) . ?
C230 C231 1.383(7) . ?
C231 C232 1.389(7) . ?
B1 F11 1.341(8) . ?
B1 F13 1.354(10) . ?
B1 F14 1.393(10) . ?
B1 F12 1.406(10) . ?
B2 F23 1.330(8) . ?
B2 F22 1.335(8) . ?
B2 F21 1.349(9) . ?
B2 F24 1.368(9) . ?
B3 F33 1.316(13) . ?
B3 F31 1.331(10) . ?
B3 F34 1.378(12) . ?
B3 F32 1.401(11) . ?
B4 F44 1.303(11) . ?
B4 F42 1.334(11) . ?
B4 F43 1.361(10) . ?
B4 F41 1.377(10) . ?
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
N2 Ni1 N1 C1 173.8(4) . . . . ?
N14 Ni1 N1 C1 -16.3(4) . . . . ?
N3 Ni1 N1 C1 -171.1(9) . . . . ?
N15 Ni1 N1 C1 75.9(4) . . . . ?
N13 Ni1 N1 C1 -93.2(4) . . . . ?
N2 Ni1 N1 C4 -2.5(4) . . . . ?
N14 Ni1 N1 C4 167.5(4) . . . . ?
N3 Ni1 N1 C4 12.6(12) . . . . ?
N15 Ni1 N1 C4 -100.4(4) . . . . ?
N13 Ni1 N1 C4 90.5(4) . . . . ?
N14 Ni1 N2 C5 -36.9(11) . . . . ?
N3 Ni1 N2 C5 -169.2(5) . . . . ?
N1 Ni1 N2 C5 8.0(5) . . . . ?
N15 Ni1 N2 C5 92.7(5) . . . . ?
N13 Ni1 N2 C5 -78.4(5) . . . . ?
N14 Ni1 N2 C6 136.1(8) . . . . ?
N3 Ni1 N2 C6 3.8(5) . . . . ?
N1 Ni1 N2 C6 -179.0(5) . . . . ?
N15 Ni1 N2 C6 -94.3(5) . . . . ?
N13 Ni1 N2 C6 94.6(5) . . . . ?
N2 Ni1 N3 C12 151.9(5) . . . . ?
N14 Ni1 N3 C12 -17.5(5) . . . . ?
N1 Ni1 N3 C12 137.2(9) . . . . ?
N15 Ni1 N3 C12 -110.8(5) . . . . ?
N13 Ni1 N3 C12 59.6(5) . . . . ?
N2 Ni1 N3 C8 -25.5(5) . . . . ?
N14 Ni1 N3 C8 165.1(5) . . . . ?
N1 Ni1 N3 C8 -40.2(12) . . . . ?
N15 Ni1 N3 C8 71.8(5) . . . . ?
N13 Ni1 N3 C8 -117.8(5) . . . . ?
N5 Ni2 N4 C2 -174.9(4) . . . . ?
N20 Ni2 N4 C2 14.7(4) . . . . ?
N6 Ni2 N4 C2 166.6(7) . . . . ?
N21 Ni2 N4 C2 -76.4(4) . . . . ?
N19 Ni2 N4 C2 90.6(4) . . . . ?
N5 Ni2 N4 C3 6.6(3) . . . . ?
N20 Ni2 N4 C3 -163.7(4) . . . . ?
N6 Ni2 N4 C3 -11.9(10) . . . . ?
N21 Ni2 N4 C3 105.1(4) . . . . ?
N19 Ni2 N4 C3 -87.9(4) . . . . ?
N20 Ni2 N5 C15 32.1(11) . . . . ?
N4 Ni2 N5 C15 -10.7(5) . . . . ?
N6 Ni2 N5 C15 165.4(5) . . . . ?
N21 Ni2 N5 C15 -98.1(5) . . . . ?
N19 Ni2 N5 C15 74.5(5) . . . . ?
N20 Ni2 N5 C16 -140.0(7) . . . . ?
N4 Ni2 N5 C16 177.2(5) . . . . ?
N6 Ni2 N5 C16 -6.6(5) . . . . ?
N21 Ni2 N5 C16 89.9(5) . . . . ?
N19 Ni2 N5 C16 -97.6(4) . . . . ?
N5 Ni2 N6 C22 -151.3(4) . . . . ?
N20 Ni2 N6 C22 18.3(4) . . . . ?
N4 Ni2 N6 C22 -133.2(8) . . . . ?
N21 Ni2 N6 C22 110.4(4) . . . . ?
N19 Ni2 N6 C22 -57.7(4) . . . . ?
N5 Ni2 N6 C18 24.5(5) . . . . ?
N20 Ni2 N6 C18 -165.9(5) . . . . ?
N4 Ni2 N6 C18 42.7(11) . . . . ?
N21 Ni2 N6 C18 -73.7(5) . . . . ?
N19 Ni2 N6 C18 118.1(5) . . . . ?
N8 Ni3 N7 C31 -173.6(4) . . . . ?
N17 Ni3 N7 C31 14.2(4) . . . . ?
N9 Ni3 N7 C31 149.1(6) . . . . ?
N16 Ni3 N7 C31 90.7(4) . . . . ?
N18 Ni3 N7 C31 -76.2(4) . . . . ?
N8 Ni3 N7 C34 6.3(4) . . . . ?
N17 Ni3 N7 C34 -165.9(4) . . . . ?
N9 Ni3 N7 C34 -31.0(9) . . . . ?
N16 Ni3 N7 C34 -89.5(4) . . . . ?
N18 Ni3 N7 C34 103.6(4) . . . . ?
N17 Ni3 N8 C35 28.0(11) . . . . ?
N9 Ni3 N8 C35 162.3(5) . . . . ?
N16 Ni3 N8 C35 75.5(5) . . . . ?
N7 Ni3 N8 C35 -9.1(5) . . . . ?
N18 Ni3 N8 C35 -94.8(5) . . . . ?
N17 Ni3 N8 C36 -151.5(7) . . . . ?
N9 Ni3 N8 C36 -17.2(5) . . . . ?
N16 Ni3 N8 C36 -103.9(5) . . . . ?
N7 Ni3 N8 C36 171.5(5) . . . . ?
N18 Ni3 N8 C36 85.7(5) . . . . ?
N8 Ni3 N9 C42 -145.0(4) . . . . ?
N17 Ni3 N9 C42 25.6(4) . . . . ?
N16 Ni3 N9 C42 -50.6(4) . . . . ?
N7 Ni3 N9 C42 -109.0(7) . . . . ?
N18 Ni3 N9 C42 117.7(4) . . . . ?
N8 Ni3 N9 C38 16.5(4) . . . . ?
N17 Ni3 N9 C38 -172.8(4) . . . . ?
N16 Ni3 N9 C38 110.9(4) . . . . ?
N7 Ni3 N9 C38 52.5(9) . . . . ?
N18 Ni3 N9 C38 -80.8(4) . . . . ?
N23 Ni4 N10 C32 -14.9(4) . . . . ?
N11 Ni4 N10 C32 174.7(4) . . . . ?
N12 Ni4 N10 C32 -156.5(7) . . . . ?
N22 Ni4 N10 C32 -91.3(4) . . . . ?
N24 Ni4 N10 C32 76.5(4) . . . . ?
N23 Ni4 N10 C33 166.3(3) . . . . ?
N11 Ni4 N10 C33 -4.1(3) . . . . ?
N12 Ni4 N10 C33 24.6(10) . . . . ?
N22 Ni4 N10 C33 89.9(4) . . . . ?
N24 Ni4 N10 C33 -102.4(4) . . . . ?
N23 Ni4 N11 C45 -36.8(9) . . . . ?
N12 Ni4 N11 C45 -167.1(4) . . . . ?
N10 Ni4 N11 C45 7.3(4) . . . . ?
N22 Ni4 N11 C45 -78.8(5) . . . . ?
N24 Ni4 N11 C45 91.0(5) . . . . ?
N23 Ni4 N11 C46 139.8(6) . . . . ?
N12 Ni4 N11 C46 9.4(4) . . . . ?
N10 Ni4 N11 C46 -176.2(4) . . . . ?
N22 Ni4 N11 C46 97.7(4) . . . . ?
N24 Ni4 N11 C46 -92.5(4) . . . . ?
N23 Ni4 N12 C48 171.3(4) . . . . ?
N11 Ni4 N12 C48 -19.3(4) . . . . ?
N10 Ni4 N12 C48 -47.3(10) . . . . ?
N22 Ni4 N12 C48 -112.4(4) . . . . ?
N24 Ni4 N12 C48 78.4(4) . . . . ?
N23 Ni4 N12 C52 -22.8(4) . . . . ?
N11 Ni4 N12 C52 146.6(4) . . . . ?
N10 Ni4 N12 C52 118.7(8) . . . . ?
N22 Ni4 N12 C52 53.5(4) . . . . ?
N24 Ni4 N12 C52 -115.7(4) . . . . ?
N2 Ni1 N13 C61 -16.2(5) . . . . ?
N14 Ni1 N13 C61 173.4(5) . . . . ?
N3 Ni1 N13 C61 76.2(5) . . . . ?
N1 Ni1 N13 C61 -93.4(5) . . . . ?
N15 Ni1 N13 C61 -152.2(9) . . . . ?
N2 Ni1 N13 C64 164.6(4) . . . . ?
N14 Ni1 N13 C64 -5.7(3) . . . . ?
N3 Ni1 N13 C64 -103.0(4) . . . . ?
N1 Ni1 N13 C64 87.4(4) . . . . ?
N15 Ni1 N13 C64 28.7(11) . . . . ?
N2 Ni1 N14 C65 -30.9(10) . . . . ?
N3 Ni1 N14 C65 100.9(4) . . . . ?
N1 Ni1 N14 C65 -74.5(4) . . . . ?
N15 Ni1 N14 C65 -161.0(4) . . . . ?
N13 Ni1 N14 C65 11.8(4) . . . . ?
N2 Ni1 N14 C66 138.5(8) . . . . ?
N3 Ni1 N14 C66 -89.6(5) . . . . ?
N1 Ni1 N14 C66 94.9(4) . . . . ?
N15 Ni1 N14 C66 8.5(5) . . . . ?
N13 Ni1 N14 C66 -178.7(5) . . . . ?
N2 Ni1 N15 C68 171.0(5) . . . . ?
N14 Ni1 N15 C68 -20.0(5) . . . . ?
N3 Ni1 N15 C68 77.6(5) . . . . ?
N1 Ni1 N15 C68 -112.3(5) . . . . ?
N13 Ni1 N15 C68 -53.5(12) . . . . ?
N2 Ni1 N15 C72 -19.3(5) . . . . ?
N14 Ni1 N15 C72 149.7(5) . . . . ?
N3 Ni1 N15 C72 -112.6(5) . . . . ?
N1 Ni1 N15 C72 57.5(5) . . . . ?
N13 Ni1 N15 C72 116.3(9) . . . . ?
N8 Ni3 N16 C62 18.9(4) . . . . ?
N17 Ni3 N16 C62 -170.9(4) . . . . ?
N9 Ni3 N16 C62 -73.5(4) . . . . ?
N7 Ni3 N16 C62 94.3(4) . . . . ?
N18 Ni3 N16 C62 157.6(6) . . . . ?
N8 Ni3 N16 C63 -163.4(3) . . . . ?
N17 Ni3 N16 C63 6.8(3) . . . . ?
N9 Ni3 N16 C63 104.2(3) . . . . ?
N7 Ni3 N16 C63 -88.0(3) . . . . ?
N18 Ni3 N16 C63 -24.7(8) . . . . ?
N8 Ni3 N17 C75 36.9(10) . . . . ?
N9 Ni3 N17 C75 -97.1(4) . . . . ?
N16 Ni3 N17 C75 -12.2(3) . . . . ?
N7 Ni3 N17 C75 72.7(4) . . . . ?
N18 Ni3 N17 C75 160.2(4) . . . . ?
N8 Ni3 N17 C76 -138.3(7) . . . . ?
N9 Ni3 N17 C76 87.7(4) . . . . ?
N16 Ni3 N17 C76 172.7(4) . . . . ?
N7 Ni3 N17 C76 -102.5(4) . . . . ?
N18 Ni3 N17 C76 -14.9(4) . . . . ?
N8 Ni3 N18 C78 -177.5(4) . . . . ?
N17 Ni3 N18 C78 13.4(4) . . . . ?
N9 Ni3 N18 C78 -83.3(4) . . . . ?
N16 Ni3 N18 C78 44.0(9) . . . . ?
N7 Ni3 N18 C78 107.1(4) . . . . ?
N8 Ni3 N18 C82 25.9(4) . . . . ?
N17 Ni3 N18 C82 -143.2(4) . . . . ?
N9 Ni3 N18 C82 120.0(4) . . . . ?
N16 Ni3 N18 C82 -112.7(7) . . . . ?
N7 Ni3 N18 C82 -49.6(4) . . . . ?
N5 Ni2 N19 C91 14.8(5) . . . . ?
N20 Ni2 N19 C91 -175.0(5) . . . . ?
N4 Ni2 N19 C91 91.9(4) . . . . ?
N6 Ni2 N19 C91 -76.2(4) . . . . ?
N21 Ni2 N19 C91 162.3(7) . . . . ?
N5 Ni2 N19 C94 -163.4(4) . . . . ?
N20 Ni2 N19 C94 6.8(3) . . . . ?
N4 Ni2 N19 C94 -86.3(4) . . . . ?
N6 Ni2 N19 C94 105.6(4) . . . . ?
N21 Ni2 N19 C94 -15.9(9) . . . . ?
N5 Ni2 N20 C95 31.3(10) . . . . ?
N4 Ni2 N20 C95 72.9(4) . . . . ?
N6 Ni2 N20 C95 -101.3(4) . . . . ?
N21 Ni2 N20 C95 162.1(4) . . . . ?
N19 Ni2 N20 C95 -12.6(4) . . . . ?
N5 Ni2 N20 C96 -138.1(7) . . . . ?
N4 Ni2 N20 C96 -96.6(4) . . . . ?
N6 Ni2 N20 C96 89.2(4) . . . . ?
N21 Ni2 N20 C96 -7.3(4) . . . . ?
N19 Ni2 N20 C96 178.0(4) . . . . ?
N5 Ni2 N21 C98 -171.8(5) . . . . ?
N20 Ni2 N21 C98 19.0(5) . . . . ?
N4 Ni2 N21 C98 111.1(5) . . . . ?
N6 Ni2 N21 C98 -79.9(5) . . . . ?
N19 Ni2 N21 C98 41.1(10) . . . . ?
N5 Ni2 N21 C102 19.5(4) . . . . ?
N20 Ni2 N21 C102 -149.6(4) . . . . ?
N4 Ni2 N21 C102 -57.6(4) . . . . ?
N6 Ni2 N21 C102 111.5(4) . . . . ?
N19 Ni2 N21 C102 -127.6(7) . . . . ?
N23 Ni4 N22 C92 171.3(4) . . . . ?
N11 Ni4 N22 C92 -18.2(4) . . . . ?
N12 Ni4 N22 C92 74.8(4) . . . . ?
N10 Ni4 N22 C92 -94.5(4) . . . . ?
N24 Ni4 N22 C92 -153.2(6) . . . . ?
N23 Ni4 N22 C93 -6.0(3) . . . . ?
N11 Ni4 N22 C93 164.5(3) . . . . ?
N12 Ni4 N22 C93 -102.5(3) . . . . ?
N10 Ni4 N22 C93 88.1(3) . . . . ?
N24 Ni4 N22 C93 29.5(8) . . . . ?
N11 Ni4 N23 C105 -30.3(9) . . . . ?
N12 Ni4 N23 C105 99.7(4) . . . . ?
N10 Ni4 N23 C105 -73.0(4) . . . . ?
N22 Ni4 N23 C105 13.1(4) . . . . ?
N24 Ni4 N23 C105 -158.6(4) . . . . ?
N11 Ni4 N23 C106 141.5(6) . . . . ?
N12 Ni4 N23 C106 -88.5(4) . . . . ?
N10 Ni4 N23 C106 98.9(4) . . . . ?
N22 Ni4 N23 C106 -175.1(4) . . . . ?
N24 Ni4 N23 C106 13.2(4) . . . . ?
N23 Ni4 N24 C112 142.7(4) . . . . ?
N11 Ni4 N24 C112 -26.4(4) . . . . ?
N12 Ni4 N24 C112 -121.0(4) . . . . ?
N10 Ni4 N24 C112 49.5(4) . . . . ?
N22 Ni4 N24 C112 108.3(7) . . . . ?
N23 Ni4 N24 C108 -12.2(4) . . . . ?
N11 Ni4 N24 C108 178.7(4) . . . . ?
N12 Ni4 N24 C108 84.1(4) . . . . ?
N10 Ni4 N24 C108 -105.4(4) . . . . ?
N22 Ni4 N24 C108 -46.6(9) . . . . ?
C4 N1 C1 C2 0.4(8) . . . . ?
Ni1 N1 C1 C2 -175.7(4) . . . . ?
C3 N4 C2 C1 -1.0(8) . . . . ?
Ni2 N4 C2 C1 -179.4(4) . . . . ?
N1 C1 C2 N4 0.3(8) . . . . ?
C2 N4 C3 C4 0.8(7) . . . . ?
Ni2 N4 C3 C4 179.3(4) . . . . ?
C2 N4 C3 C15 178.8(4) . . . . ?
Ni2 N4 C3 C15 -2.6(5) . . . . ?
C1 N1 C4 C3 -0.6(7) . . . . ?
Ni1 N1 C4 C3 175.9(4) . . . . ?
C1 N1 C4 C5 -178.4(4) . . . . ?
Ni1 N1 C4 C5 -1.9(5) . . . . ?
N4 C3 C4 N1 0.0(8) . . . . ?
C15 C3 C4 N1 -177.6(5) . . . . ?
N4 C3 C4 C5 177.4(5) . . . . ?
C15 C3 C4 C5 -0.2(9) . . . . ?
C6 N2 C5 O1 -3.3(10) . . . . ?
Ni1 N2 C5 O1 170.3(4) . . . . ?
C6 N2 C5 C4 175.3(5) . . . . ?
Ni1 N2 C5 C4 -11.2(7) . . . . ?
N1 C4 C5 N2 8.2(7) . . . . ?
C3 C4 C5 N2 -169.4(6) . . . . ?
N1 C4 C5 O1 -173.0(5) . . . . ?
C3 C4 C5 O1 9.4(8) . . . . ?
C5 N2 C6 C7 -148.9(6) . . . . ?
Ni1 N2 C6 C7 37.7(7) . . . . ?
N2 C6 C7 C8 -73.1(8) . . . . ?
C12 N3 C8 C9 2.5(10) . . . . ?
Ni1 N3 C8 C9 -180.0(5) . . . . ?
C12 N3 C8 C7 -175.8(6) . . . . ?
Ni1 N3 C8 C7 1.7(9) . . . . ?
C6 C7 C8 N3 53.0(9) . . . . ?
C6 C7 C8 C9 -125.3(7) . . . . ?
N3 C8 C9 C10 -1.6(12) . . . . ?
C7 C8 C9 C10 176.6(8) . . . . ?
C8 C9 C10 C11 -0.1(13) . . . . ?
C9 C10 C11 C12 0.9(11) . . . . ?
C8 N3 C12 C11 -1.8(11) . . . . ?
Ni1 N3 C12 C11 -179.4(6) . . . . ?
C10 C11 C12 N3 0.1(11) . . . . ?
C16 N5 C15 O2 4.7(9) . . . . ?
Ni2 N5 C15 O2 -168.1(4) . . . . ?
C16 N5 C15 C3 -174.7(4) . . . . ?
Ni2 N5 C15 C3 12.5(7) . . . . ?
N4 C3 C15 N5 -6.1(7) . . . . ?
C4 C3 C15 N5 171.7(6) . . . . ?
N4 C3 C15 O2 174.5(4) . . . . ?
C4 C3 C15 O2 -7.8(8) . . . . ?
C15 N5 C16 C17 153.6(5) . . . . ?
Ni2 N5 C16 C17 -34.1(7) . . . . ?
N5 C16 C17 C18 72.3(7) . . . . ?
C22 N6 C18 C19 0.6(9) . . . . ?
Ni2 N6 C18 C19 -175.1(5) . . . . ?
C22 N6 C18 C17 177.7(5) . . . . ?
Ni2 N6 C18 C17 2.0(8) . . . . ?
C16 C17 C18 N6 -57.0(8) . . . . ?
C16 C17 C18 C19 120.1(7) . . . . ?
N6 C18 C19 C20 -3.6(10) . . . . ?
C17 C18 C19 C20 179.3(7) . . . . ?
C18 C19 C20 C21 4.6(12) . . . . ?
C19 C20 C21 C22 -2.5(12) . . . . ?
C18 N6 C22 C21 1.6(9) . . . . ?
Ni2 N6 C22 C21 177.6(5) . . . . ?
C20 C21 C22 N6 -0.7(10) . . . . ?
C34 N7 C31 C32 1.1(7) . . . . ?
Ni3 N7 C31 C32 -179.0(3) . . . . ?
C33 N10 C32 C31 -0.6(7) . . . . ?
Ni4 N10 C32 C31 -179.4(3) . . . . ?
N7 C31 C32 N10 0.3(7) . . . . ?
C32 N10 C33 C34 -0.5(7) . . . . ?
Ni4 N10 C33 C34 178.4(4) . . . . ?
C32 N10 C33 C45 -177.8(4) . . . . ?
Ni4 N10 C33 C45 1.1(6) . . . . ?
C31 N7 C34 C33 -2.2(7) . . . . ?
Ni3 N7 C34 C33 177.9(4) . . . . ?
C31 N7 C34 C35 176.5(5) . . . . ?
Ni3 N7 C34 C35 -3.4(6) . . . . ?
N10 C33 C34 N7 2.0(8) . . . . ?
C45 C33 C34 N7 178.8(5) . . . . ?
N10 C33 C34 C35 -176.6(5) . . . . ?
C45 C33 C34 C35 0.3(10) . . . . ?
C36 N8 C35 O3 5.3(11) . . . . ?
Ni3 N8 C35 O3 -174.2(6) . . . . ?
C36 N8 C35 C34 -170.5(5) . . . . ?
Ni3 N8 C35 C34 10.0(8) . . . . ?
N7 C34 C35 O3 -179.7(6) . . . . ?
C33 C34 C35 O3 -1.1(11) . . . . ?
N7 C34 C35 N8 -3.8(8) . . . . ?
C33 C34 C35 N8 174.8(6) . . . . ?
C35 N8 C36 C37 162.6(6) . . . . ?
Ni3 N8 C36 C37 -17.9(8) . . . . ?
N8 C36 C37 C38 67.4(8) . . . . ?
C42 N9 C38 C39 2.6(8) . . . . ?
Ni3 N9 C38 C39 -159.2(4) . . . . ?
C42 N9 C38 C37 -178.1(5) . . . . ?
Ni3 N9 C38 C37 20.1(7) . . . . ?
C36 C37 C38 N9 -71.1(7) . . . . ?
C36 C37 C38 C39 108.3(7) . . . . ?
N9 C38 C39 C40 -2.1(9) . . . . ?
C37 C38 C39 C40 178.6(6) . . . . ?
C38 C39 C40 C41 0.9(9) . . . . ?
C39 C40 C41 C42 -0.4(9) . . . . ?
C38 N9 C42 C41 -2.1(8) . . . . ?
Ni3 N9 C42 C41 160.3(5) . . . . ?
C40 C41 C42 N9 1.0(9) . . . . ?
C46 N11 C45 O4 -5.0(9) . . . . ?
Ni4 N11 C45 O4 171.7(4) . . . . ?
C46 N11 C45 C33 174.4(5) . . . . ?
Ni4 N11 C45 C33 -8.9(7) . . . . ?
N10 C33 C45 O4 -175.8(5) . . . . ?
C34 C33 C45 O4 7.2(9) . . . . ?
N10 C33 C45 N11 4.8(7) . . . . ?
C34 C33 C45 N11 -172.3(5) . . . . ?
C45 N11 C46 C47 -154.9(5) . . . . ?
Ni4 N11 C46 C47 28.5(6) . . . . ?
N11 C46 C47 C48 -72.8(6) . . . . ?
C52 N12 C48 C49 -0.2(8) . . . . ?
Ni4 N12 C48 C49 165.9(4) . . . . ?
C52 N12 C48 C47 -178.8(5) . . . . ?
Ni4 N12 C48 C47 -12.7(7) . . . . ?
C46 C47 C48 N12 65.5(7) . . . . ?
C46 C47 C48 C49 -113.1(6) . . . . ?
N12 C48 C49 C50 1.4(8) . . . . ?
C47 C48 C49 C50 179.9(5) . . . . ?
C48 C49 C50 C51 -2.4(9) . . . . ?
C49 C50 C51 C52 2.2(9) . . . . ?
C48 N12 C52 C51 0.0(8) . . . . ?
Ni4 N12 C52 C51 -166.7(4) . . . . ?
C50 C51 C52 N12 -1.0(9) . . . . ?
C64 N13 C61 C62 0.2(9) . . . . ?
Ni1 N13 C61 C62 -178.9(4) . . . . ?
C63 N16 C62 C61 -3.0(8) . . . . ?
Ni3 N16 C62 C61 174.6(4) . . . . ?
N13 C61 C62 N16 1.9(9) . . . . ?
C62 N16 C63 C64 2.2(7) . . . . ?
Ni3 N16 C63 C64 -175.7(4) . . . . ?
C62 N16 C63 C75 176.4(4) . . . . ?
Ni3 N16 C63 C75 -1.5(5) . . . . ?
C61 N13 C64 C63 -1.0(7) . . . . ?
Ni1 N13 C64 C63 178.2(4) . . . . ?
C61 N13 C64 C65 -179.4(5) . . . . ?
Ni1 N13 C64 C65 -0.2(6) . . . . ?
N16 C63 C64 N13 -0.2(7) . . . . ?
C75 C63 C64 N13 -173.4(4) . . . . ?
N16 C63 C64 C65 178.0(5) . . . . ?
C75 C63 C64 C65 4.7(9) . . . . ?
C66 N14 C65 O5 -5.1(8) . . . . ?
Ni1 N14 C65 O5 165.4(4) . . . . ?
C66 N14 C65 C64 173.9(5) . . . . ?
Ni1 N14 C65 C64 -15.6(6) . . . . ?
N13 C64 C65 O5 -170.9(4) . . . . ?
C63 C64 C65 O5 10.8(9) . . . . ?
N13 C64 C65 N14 10.0(7) . . . . ?
C63 C64 C65 N14 -168.2(5) . . . . ?
C65 N14 C66 C67 -161.4(5) . . . . ?
Ni1 N14 C66 C67 29.0(6) . . . . ?
N14 C66 C67 C68 -69.4(7) . . . . ?
C72 N15 C68 C69 -1.6(9) . . . . ?
Ni1 N15 C68 C69 168.3(4) . . . . ?
C72 N15 C68 C67 -179.8(5) . . . . ?
Ni1 N15 C68 C67 -10.0(8) . . . . ?
C66 C67 C68 N15 62.0(8) . . . . ?
C66 C67 C68 C69 -116.4(6) . . . . ?
N15 C68 C69 C70 -0.2(9) . . . . ?
C67 C68 C69 C70 178.1(6) . . . . ?
C68 C69 C70 C71 1.4(10) . . . . ?
C69 C70 C71 C72 -0.7(10) . . . . ?
C70 C71 C72 N15 -1.2(11) . . . . ?
C68 N15 C72 C71 2.4(10) . . . . ?
Ni1 N15 C72 C71 -167.6(5) . . . . ?
C76 N17 C75 O6 10.7(7) . . . . ?
Ni3 N17 C75 O6 -165.1(4) . . . . ?
C76 N17 C75 C63 -169.1(4) . . . . ?
Ni3 N17 C75 C63 15.2(6) . . . . ?
N16 C63 C75 O6 171.7(4) . . . . ?
C64 C63 C75 O6 -14.6(8) . . . . ?
N16 C63 C75 N17 -8.5(6) . . . . ?
C64 C63 C75 N17 165.2(5) . . . . ?
C75 N17 C76 C77 164.6(4) . . . . ?
Ni3 N17 C76 C77 -20.0(6) . . . . ?
N17 C76 C77 C78 69.0(6) . . . . ?
C82 N18 C78 C79 2.9(8) . . . . ?
Ni3 N18 C78 C79 -153.8(4) . . . . ?
C82 N18 C78 C77 -179.1(5) . . . . ?
Ni3 N18 C78 C77 24.2(6) . . . . ?
C76 C77 C78 N18 -74.4(6) . . . . ?
C76 C77 C78 C79 103.6(6) . . . . ?
N18 C78 C79 C80 0.1(10) . . . . ?
C77 C78 C79 C80 -177.8(6) . . . . ?
C78 C79 C80 C81 -1.8(11) . . . . ?
C79 C80 C81 C82 0.5(11) . . . . ?
C78 N18 C82 C81 -4.2(8) . . . . ?
Ni3 N18 C82 C81 153.4(5) . . . . ?
C80 C81 C82 N18 2.6(10) . . . . ?
C94 N19 C91 C92 -1.8(8) . . . . ?
Ni2 N19 C91 C92 -179.9(4) . . . . ?
C93 N22 C92 C91 4.4(8) . . . . ?
Ni4 N22 C92 C91 -172.8(4) . . . . ?
N19 C91 C92 N22 -2.0(8) . . . . ?
C92 N22 C93 C94 -3.0(7) . . . . ?
Ni4 N22 C93 C94 174.6(4) . . . . ?
C92 N22 C93 C105 -178.2(4) . . . . ?
Ni4 N22 C93 C105 -0.6(5) . . . . ?
C91 N19 C94 C93 3.1(7) . . . . ?
Ni2 N19 C94 C93 -178.6(3) . . . . ?
C91 N19 C94 C95 -179.5(4) . . . . ?
Ni2 N19 C94 C95 -1.2(5) . . . . ?
N22 C93 C94 N19 -0.7(7) . . . . ?
C105 C93 C94 N19 173.6(4) . . . . ?
N22 C93 C94 C95 -177.5(5) . . . . ?
C105 C93 C94 C95 -3.2(9) . . . . ?
C96 N20 C95 O7 7.4(7) . . . . ?
Ni2 N20 C95 O7 -163.0(4) . . . . ?
C96 N20 C95 C94 -173.6(4) . . . . ?
Ni2 N20 C95 C94 16.0(6) . . . . ?
N19 C94 C95 N20 -9.2(7) . . . . ?
C93 C94 C95 N20 167.8(5) . . . . ?
N19 C94 C95 O7 169.9(4) . . . . ?
C93 C94 C95 O7 -13.1(8) . . . . ?
C95 N20 C96 C97 159.4(5) . . . . ?
Ni2 N20 C96 C97 -30.8(6) . . . . ?
N20 C96 C97 C98 71.1(6) . . . . ?
C102 N21 C98 C99 -3.5(8) . . . . ?
Ni2 N21 C98 C99 -172.0(4) . . . . ?
C102 N21 C98 C97 179.3(5) . . . . ?
Ni2 N21 C98 C97 10.8(7) . . . . ?
C96 C97 C98 N21 -62.2(7) . . . . ?
C96 C97 C98 C99 120.5(6) . . . . ?
N21 C98 C99 C100 2.3(9) . . . . ?
C97 C98 C99 C100 179.4(6) . . . . ?
C98 C99 C100 C101 0.3(10) . . . . ?
C99 C100 C101 C102 -1.6(10) . . . . ?
C98 N21 C102 C101 2.2(8) . . . . ?
Ni2 N21 C102 C101 171.5(5) . . . . ?
C100 C101 C102 N21 0.4(10) . . . . ?
C106 N23 C105 O8 -6.9(7) . . . . ?
Ni4 N23 C105 O8 165.8(3) . . . . ?
C106 N23 C105 C93 169.7(4) . . . . ?
Ni4 N23 C105 C93 -17.6(6) . . . . ?
N22 C93 C105 O8 -171.9(4) . . . . ?
C94 C93 C105 O8 13.4(8) . . . . ?
N22 C93 C105 N23 11.5(6) . . . . ?
C94 C93 C105 N23 -163.3(5) . . . . ?
C105 N23 C106 C107 -166.7(4) . . . . ?
Ni4 N23 C106 C107 21.3(6) . . . . ?
N23 C106 C107 C108 -68.1(6) . . . . ?
C112 N24 C108 C109 -3.3(8) . . . . ?
Ni4 N24 C108 C109 151.4(4) . . . . ?
C112 N24 C108 C107 -179.8(5) . . . . ?
Ni4 N24 C108 C107 -25.1(7) . . . . ?
C106 C107 C108 N24 73.7(6) . . . . ?
C106 C107 C108 C109 -102.8(6) . . . . ?
N24 C108 C109 C110 0.9(9) . . . . ?
C107 C108 C109 C110 177.3(6) . . . . ?
C108 C109 C110 C111 1.6(10) . . . . ?
C109 C110 C111 C112 -1.6(11) . . . . ?
C108 N24 C112 C111 3.4(8) . . . . ?
Ni4 N24 C112 C111 -151.7(5) . . . . ?
C110 C111 C112 N24 -0.9(10) . . . . ?
N26 Ni5 N25 C121 176.7(4) . . . . ?
N38 Ni5 N25 C121 -12.8(4) . . . . ?
N27 Ni5 N25 C121 -163.8(8) . . . . ?
N39 Ni5 N25 C121 79.5(4) . . . . ?
N37 Ni5 N25 C121 -89.4(4) . . . . ?
N26 Ni5 N25 C124 -5.5(4) . . . . ?
N38 Ni5 N25 C124 165.0(4) . . . . ?
N27 Ni5 N25 C124 14.0(10) . . . . ?
N39 Ni5 N25 C124 -102.8(4) . . . . ?
N37 Ni5 N25 C124 88.4(4) . . . . ?
N38 Ni5 N26 C125 -36.7(12) . . . . ?
N27 Ni5 N26 C125 -168.5(5) . . . . ?
N39 Ni5 N26 C125 96.4(5) . . . . ?
N25 Ni5 N26 C125 7.2(5) . . . . ?
N37 Ni5 N26 C125 -80.0(5) . . . . ?
N38 Ni5 N26 C126 136.9(8) . . . . ?
N27 Ni5 N26 C126 5.0(5) . . . . ?
N39 Ni5 N26 C126 -90.1(5) . . . . ?
N25 Ni5 N26 C126 -179.2(5) . . . . ?
N37 Ni5 N26 C126 93.5(5) . . . . ?
N44 Ni6 N28 C122 9.7(4) . . . . ?
N29 Ni6 N28 C122 -177.8(4) . . . . ?
N45 Ni6 N28 C122 -82.1(4) . . . . ?
N30 Ni6 N28 C122 154.8(12) . . . . ?
N43 Ni6 N28 C122 86.1(4) . . . . ?
N44 Ni6 N28 C123 -165.8(4) . . . . ?
N29 Ni6 N28 C123 6.7(3) . . . . ?
N45 Ni6 N28 C123 102.4(4) . . . . ?
N30 Ni6 N28 C123 -20.6(14) . . . . ?
N43 Ni6 N28 C123 -89.4(4) . . . . ?
N44 Ni6 N29 C135 33.0(13) . . . . ?
N45 Ni6 N29 C135 -97.1(5) . . . . ?
N28 Ni6 N29 C135 -6.4(5) . . . . ?
N30 Ni6 N29 C135 167.6(5) . . . . ?
N43 Ni6 N29 C135 79.9(5) . . . . ?
N44 Ni6 N29 C136 -143.7(10) . . . . ?
N45 Ni6 N29 C136 86.1(5) . . . . ?
N28 Ni6 N29 C136 176.9(5) . . . . ?
N30 Ni6 N29 C136 -9.1(5) . . . . ?
N43 Ni6 N29 C136 -96.8(5) . . . . ?
N32 Ni7 N31 C151 -175.6(4) . . . . ?
N41 Ni7 N31 C151 12.6(4) . . . . ?
N33 Ni7 N31 C151 152.6(7) . . . . ?
N42 Ni7 N31 C151 -79.2(4) . . . . ?
N40 Ni7 N31 C151 87.8(4) . . . . ?
N32 Ni7 N31 C154 8.3(3) . . . . ?
N41 Ni7 N31 C154 -163.5(3) . . . . ?
N33 Ni7 N31 C154 -23.6(9) . . . . ?
N42 Ni7 N31 C154 104.7(3) . . . . ?
N40 Ni7 N31 C154 -88.3(3) . . . . ?
N41 Ni7 N32 C155 30.6(11) . . . . ?
N33 Ni7 N32 C155 161.8(4) . . . . ?
N42 Ni7 N32 C155 -99.0(4) . . . . ?
N31 Ni7 N32 C155 -10.9(4) . . . . ?
N40 Ni7 N32 C155 73.1(4) . . . . ?
N41 Ni7 N32 C156 -145.4(7) . . . . ?
N33 Ni7 N32 C156 -14.2(4) . . . . ?
N42 Ni7 N32 C156 85.0(4) . . . . ?
N31 Ni7 N32 C156 173.1(4) . . . . ?
N40 Ni7 N32 C156 -102.9(4) . . . . ?
N32 Ni7 N33 C162 -146.9(4) . . . . ?
N41 Ni7 N33 C162 23.7(4) . . . . ?
N42 Ni7 N33 C162 116.6(4) . . . . ?
N31 Ni7 N33 C162 -116.0(8) . . . . ?
N40 Ni7 N33 C162 -51.7(4) . . . . ?
N32 Ni7 N33 C158 22.8(4) . . . . ?
N41 Ni7 N33 C158 -166.5(4) . . . . ?
N42 Ni7 N33 C158 -73.6(4) . . . . ?
N31 Ni7 N33 C158 53.7(9) . . . . ?
N40 Ni7 N33 C158 118.1(4) . . . . ?
N35 Ni8 N34 C152 173.0(4) . . . . ?
N47 Ni8 N34 C152 -16.8(4) . . . . ?
N48 Ni8 N34 C152 75.2(4) . . . . ?
N36 Ni8 N34 C152 -168.8(7) . . . . ?
N46 Ni8 N34 C152 -92.3(4) . . . . ?
N35 Ni8 N34 C153 -5.0(3) . . . . ?
N47 Ni8 N34 C153 165.2(4) . . . . ?
N48 Ni8 N34 C153 -102.8(4) . . . . ?
N36 Ni8 N34 C153 13.2(10) . . . . ?
N46 Ni8 N34 C153 89.7(3) . . . . ?
N47 Ni8 N35 C165 -37.5(11) . . . . ?
N34 Ni8 N35 C165 9.9(4) . . . . ?
N48 Ni8 N35 C165 96.3(4) . . . . ?
N36 Ni8 N35 C165 -166.3(4) . . . . ?
N46 Ni8 N35 C165 -75.6(4) . . . . ?
N47 Ni8 N35 C166 138.0(8) . . . . ?
N34 Ni8 N35 C166 -174.6(4) . . . . ?
N48 Ni8 N35 C166 -88.2(4) . . . . ?
N36 Ni8 N35 C166 9.3(4) . . . . ?
N46 Ni8 N35 C166 100.0(4) . . . . ?
N35 Ni8 N36 C172 150.0(4) . . . . ?
N47 Ni8 N36 C172 -19.6(4) . . . . ?
N34 Ni8 N36 C172 132.3(8) . . . . ?
N48 Ni8 N36 C172 -112.7(4) . . . . ?
N46 Ni8 N36 C172 56.2(4) . . . . ?
N35 Ni8 N36 C168 -23.5(4) . . . . ?
N47 Ni8 N36 C168 166.9(4) . . . . ?
N34 Ni8 N36 C168 -41.2(10) . . . . ?
N48 Ni8 N36 C168 73.8(4) . . . . ?
N46 Ni8 N36 C168 -117.3(4) . . . . ?
N26 Ni5 N37 C181 -15.6(5) . . . . ?
N38 Ni5 N37 C181 174.0(5) . . . . ?
N27 Ni5 N37 C181 75.9(5) . . . . ?
N39 Ni5 N37 C181 -176.7(10) . . . . ?
N25 Ni5 N37 C181 -91.7(4) . . . . ?
N26 Ni5 N37 C184 170.1(4) . . . . ?
N38 Ni5 N37 C184 -0.3(4) . . . . ?
N27 Ni5 N37 C184 -98.4(4) . . . . ?
N39 Ni5 N37 C184 9.0(13) . . . . ?
N25 Ni5 N37 C184 94.0(4) . . . . ?
N26 Ni5 N38 C185 -35.7(11) . . . . ?
N27 Ni5 N38 C185 95.6(5) . . . . ?
N39 Ni5 N38 C185 -169.2(5) . . . . ?
N25 Ni5 N38 C185 -78.2(4) . . . . ?
N37 Ni5 N38 C185 9.0(4) . . . . ?
N26 Ni5 N38 C186 138.7(8) . . . . ?
N27 Ni5 N38 C186 -90.0(5) . . . . ?
N39 Ni5 N38 C186 5.2(5) . . . . ?
N25 Ni5 N38 C186 96.2(5) . . . . ?
N37 Ni5 N38 C186 -176.6(5) . . . . ?
N32 Ni7 N40 C182 16.4(4) . . . . ?
N41 Ni7 N40 C182 -172.3(4) . . . . ?
N33 Ni7 N40 C182 -75.1(4) . . . . ?
N42 Ni7 N40 C182 161.7(7) . . . . ?
N31 Ni7 N40 C182 92.4(4) . . . . ?
N32 Ni7 N40 C183 -165.9(4) . . . . ?
N41 Ni7 N40 C183 5.5(4) . . . . ?
N33 Ni7 N40 C183 102.7(4) . . . . ?
N42 Ni7 N40 C183 -20.6(9) . . . . ?
N31 Ni7 N40 C183 -89.9(4) . . . . ?
N32 Ni7 N41 C195 33.6(11) . . . . ?
N33 Ni7 N41 C195 -97.2(4) . . . . ?
N42 Ni7 N41 C195 163.5(4) . . . . ?
N31 Ni7 N41 C195 73.9(4) . . . . ?
N40 Ni7 N41 C195 -10.4(4) . . . . ?
N32 Ni7 N41 C196 -140.0(8) . . . . ?
N33 Ni7 N41 C196 89.1(4) . . . . ?
N42 Ni7 N41 C196 -10.1(4) . . . . ?
N31 Ni7 N41 C196 -99.8(4) . . . . ?
N40 Ni7 N41 C196 175.9(4) . . . . ?
N32 Ni7 N42 C202 21.7(4) . . . . ?
N41 Ni7 N42 C202 -148.7(4) . . . . ?
N33 Ni7 N42 C202 114.3(4) . . . . ?
N31 Ni7 N42 C202 -54.7(4) . . . . ?
N40 Ni7 N42 C202 -123.5(7) . . . . ?
N32 Ni7 N42 C198 -165.8(4) . . . . ?
N41 Ni7 N42 C198 23.8(4) . . . . ?
N33 Ni7 N42 C198 -73.2(4) . . . . ?
N31 Ni7 N42 C198 117.8(4) . . . . ?
N40 Ni7 N42 C198 49.0(9) . . . . ?
N44 Ni6 N43 C211 -173.3(5) . . . . ?
N29 Ni6 N43 C211 15.5(5) . . . . ?
N45 Ni6 N43 C211 -179(60) . . . . ?
N28 Ni6 N43 C211 92.2(5) . . . . ?
N30 Ni6 N43 C211 -75.4(5) . . . . ?
N44 Ni6 N43 C214 2.8(4) . . . . ?
N29 Ni6 N43 C214 -168.4(4) . . . . ?
N45 Ni6 N43 C214 -2.7(13) . . . . ?
N28 Ni6 N43 C214 -91.7(4) . . . . ?
N30 Ni6 N43 C214 100.7(4) . . . . ?
N29 Ni6 N44 C215 40.2(13) . . . . ?
N45 Ni6 N44 C215 170.7(5) . . . . ?
N28 Ni6 N44 C215 78.4(5) . . . . ?
N30 Ni6 N44 C215 -93.9(5) . . . . ?
N43 Ni6 N44 C215 -8.2(5) . . . . ?
N29 Ni6 N44 C216 -136.6(10) . . . . ?
N45 Ni6 N44 C216 -6.1(5) . . . . ?
N28 Ni6 N44 C216 -98.4(5) . . . . ?
N30 Ni6 N44 C216 89.2(5) . . . . ?
N43 Ni6 N44 C216 175.0(5) . . . . ?
N35 Ni8 N46 C212 -12.6(5) . . . . ?
N47 Ni8 N46 C212 175.8(5) . . . . ?
N34 Ni8 N46 C212 -89.3(4) . . . . ?
N48 Ni8 N46 C212 -156.0(6) . . . . ?
N36 Ni8 N46 C212 78.6(4) . . . . ?
N35 Ni8 N46 C213 168.6(4) . . . . ?
N47 Ni8 N46 C213 -3.0(4) . . . . ?
N34 Ni8 N46 C213 91.9(4) . . . . ?
N48 Ni8 N46 C213 25.2(9) . . . . ?
N36 Ni8 N46 C213 -100.2(4) . . . . ?
N35 Ni8 N47 C225 -31.4(11) . . . . ?
N34 Ni8 N47 C225 -77.3(5) . . . . ?
N48 Ni8 N47 C225 -165.6(4) . . . . ?
N36 Ni8 N47 C225 96.8(4) . . . . ?
N46 Ni8 N47 C225 8.0(4) . . . . ?
N35 Ni8 N47 C226 143.1(8) . . . . ?
N34 Ni8 N47 C226 97.2(4) . . . . ?
N48 Ni8 N47 C226 8.9(4) . . . . ?
N36 Ni8 N47 C226 -88.7(4) . . . . ?
N46 Ni8 N47 C226 -177.5(4) . . . . ?
N35 Ni8 N48 C232 -20.8(4) . . . . ?
N47 Ni8 N48 C232 149.6(4) . . . . ?
N34 Ni8 N48 C232 55.8(4) . . . . ?
N36 Ni8 N48 C232 -113.0(4) . . . . ?
N46 Ni8 N48 C232 122.3(7) . . . . ?
N35 Ni8 N48 C228 168.4(4) . . . . ?
N47 Ni8 N48 C228 -21.2(4) . . . . ?
N34 Ni8 N48 C228 -115.0(4) . . . . ?
N36 Ni8 N48 C228 76.3(4) . . . . ?
N46 Ni8 N48 C228 -48.5(9) . . . . ?
C124 N25 C121 C122 -0.9(8) . . . . ?
Ni5 N25 C121 C122 176.8(4) . . . . ?
C123 N28 C122 C121 0.4(8) . . . . ?
Ni6 N28 C122 C121 -174.9(4) . . . . ?
N25 C121 C122 N28 0.5(9) . . . . ?
C122 N28 C123 C124 -0.9(7) . . . . ?
Ni6 N28 C123 C124 175.1(4) . . . . ?
C122 N28 C123 C135 177.8(4) . . . . ?
Ni6 N28 C123 C135 -6.2(5) . . . . ?
C121 N25 C124 C123 0.5(8) . . . . ?
Ni5 N25 C124 C123 -177.4(4) . . . . ?
C121 N25 C124 C125 -178.9(5) . . . . ?
Ni5 N25 C124 C125 3.2(5) . . . . ?
N28 C123 C124 N25 0.5(8) . . . . ?
C135 C123 C124 N25 -178.0(5) . . . . ?
N28 C123 C124 C125 179.7(5) . . . . ?
C135 C123 C124 C125 1.2(10) . . . . ?
C126 N26 C125 O9 -4.2(9) . . . . ?
Ni5 N26 C125 O9 169.8(4) . . . . ?
C126 N26 C125 C124 178.0(5) . . . . ?
Ni5 N26 C125 C124 -8.0(8) . . . . ?
N25 C124 C125 N26 2.8(8) . . . . ?
C123 C124 C125 N26 -176.5(6) . . . . ?
N25 C124 C125 O9 -175.1(5) . . . . ?
C123 C124 C125 O9 5.6(9) . . . . ?
C125 N26 C126 C127 -150.0(6) . . . . ?
Ni5 N26 C126 C127 36.4(7) . . . . ?
N26 C126 C127 C128 -73.9(8) . . . . ?
N26 Ni5 N27 C132 150.9(6) . . . . ?
N38 Ni5 N27 C132 -18.9(6) . . . . ?
N39 Ni5 N27 C132 -111.7(6) . . . . ?
N25 Ni5 N27 C132 131.9(9) . . . . ?
N37 Ni5 N27 C132 57.6(5) . . . . ?
N26 Ni5 N27 C128 -23.2(6) . . . . ?
N38 Ni5 N27 C128 167.1(6) . . . . ?
N39 Ni5 N27 C128 74.3(6) . . . . ?
N25 Ni5 N27 C128 -42.1(12) . . . . ?
N37 Ni5 N27 C128 -116.4(6) . . . . ?
C132 N27 C128 C129 1.7(12) . . . . ?
Ni5 N27 C128 C129 175.9(8) . . . . ?
C132 N27 C128 C127 -177.6(6) . . . . ?
Ni5 N27 C128 C127 -3.3(9) . . . . ?
C126 C127 C128 N27 56.3(9) . . . . ?
C126 C127 C128 C129 -122.9(9) . . . . ?
N27 C128 C129 C130 -2.4(18) . . . . ?
C127 C128 C129 C130 176.7(11) . . . . ?
C128 C129 C130 C131 2(2) . . . . ?
C129 C130 C131 C132 -1.1(19) . . . . ?
C128 N27 C132 C131 -0.6(12) . . . . ?
Ni5 N27 C132 C131 -175.2(7) . . . . ?
C130 C131 C132 N27 0.4(16) . . . . ?
C136 N29 C135 O10 0.8(9) . . . . ?
Ni6 N29 C135 O10 -176.1(4) . . . . ?
C136 N29 C135 C123 -178.1(5) . . . . ?
Ni6 N29 C135 C123 4.9(7) . . . . ?
N28 C123 C135 N29 1.2(7) . . . . ?
C124 C123 C135 N29 179.7(6) . . . . ?
N28 C123 C135 O10 -177.9(5) . . . . ?
C124 C123 C135 O10 0.7(9) . . . . ?
C135 N29 C136 C137 155.8(8) . . . . ?
Ni6 N29 C136 C137 -27.5(9) . . . . ?
N29 C136 C137 C138 69.6(11) . . . . ?
N44 Ni6 N30 C138 -169.8(7) . . . . ?
N29 Ni6 N30 C138 18.6(8) . . . . ?
N45 Ni6 N30 C138 -77.5(8) . . . . ?
N28 Ni6 N30 C138 45.3(17) . . . . ?
N43 Ni6 N30 C138 114.0(8) . . . . ?
N44 Ni6 N30 C142 28.2(8) . . . . ?
N29 Ni6 N30 C142 -143.4(8) . . . . ?
N45 Ni6 N30 C142 120.5(8) . . . . ?
N28 Ni6 N30 C142 -116.7(12) . . . . ?
N43 Ni6 N30 C142 -48.0(8) . . . . ?
C142 N30 C138 C139 -3.7(16) . . . . ?
Ni6 N30 C138 C139 -166.0(10) . . . . ?
C142 N30 C138 C137 175.3(10) . . . . ?
Ni6 N30 C138 C137 13.0(13) . . . . ?
C136 C137 C138 N30 -62.7(13) . . . . ?
C136 C137 C138 C139 116.3(12) . . . . ?
N30 C138 C139 C140 2(3) . . . . ?
C137 C138 C139 C140 -177.2(18) . . . . ?
C138 C139 C140 C141 2(3) . . . . ?
C139 C140 C141 C142 -3(3) . . . . ?
C138 N30 C142 C141 2.4(18) . . . . ?
Ni6 N30 C142 C141 165.7(11) . . . . ?
C140 C141 C142 N30 1(2) . . . . ?
C154 N31 C151 C152 -1.2(7) . . . . ?
Ni7 N31 C151 C152 -177.3(4) . . . . ?
C153 N34 C152 C151 0.3(7) . . . . ?
Ni8 N34 C152 C151 -177.6(4) . . . . ?
N31 C151 C152 N34 0.4(8) . . . . ?
C152 N34 C153 C154 -0.1(7) . . . . ?
Ni8 N34 C153 C154 178.0(4) . . . . ?
C152 N34 C153 C165 -177.7(4) . . . . ?
Ni8 N34 C153 C165 0.4(5) . . . . ?
C151 N31 C154 C153 1.4(7) . . . . ?
Ni7 N31 C154 C153 177.8(3) . . . . ?
C151 N31 C154 C155 178.7(4) . . . . ?
Ni7 N31 C154 C155 -4.9(5) . . . . ?
N34 C153 C154 N31 -0.7(7) . . . . ?
C165 C153 C154 N31 176.4(4) . . . . ?
N34 C153 C154 C155 -177.4(4) . . . . ?
C165 C153 C154 C155 -0.2(9) . . . . ?
C156 N32 C155 O11 6.1(8) . . . . ?
Ni7 N32 C155 O11 -170.2(4) . . . . ?
C156 N32 C155 C154 -172.0(4) . . . . ?
Ni7 N32 C155 C154 11.7(6) . . . . ?
N31 C154 C155 O11 177.9(4) . . . . ?
C153 C154 C155 O11 -5.2(8) . . . . ?
N31 C154 C155 N32 -4.0(6) . . . . ?
C153 C154 C155 N32 172.9(5) . . . . ?
C155 N32 C156 C157 158.7(5) . . . . ?
Ni7 N32 C156 C157 -25.2(6) . . . . ?
N32 C156 C157 C158 69.0(6) . . . . ?
C162 N33 C158 C159 -1.1(8) . . . . ?
Ni7 N33 C158 C159 -171.1(4) . . . . ?
C162 N33 C158 C157 179.8(5) . . . . ?
Ni7 N33 C158 C157 9.8(7) . . . . ?
C156 C157 C158 N33 -63.2(7) . . . . ?
C156 C157 C158 C159 117.8(6) . . . . ?
N33 C158 C159 C160 0.7(11) . . . . ?
C157 C158 C159 C160 179.8(7) . . . . ?
C158 C159 C160 C161 0.4(13) . . . . ?
C159 C160 C161 C162 -1.2(12) . . . . ?
C158 N33 C162 C161 0.4(9) . . . . ?
Ni7 N33 C162 C161 170.5(5) . . . . ?
C160 C161 C162 N33 0.8(10) . . . . ?
C166 N35 C165 O12 -8.1(8) . . . . ?
Ni8 N35 C165 O12 167.7(4) . . . . ?
C166 N35 C165 C153 171.5(4) . . . . ?
Ni8 N35 C165 C153 -12.6(6) . . . . ?
N34 C153 C165 O12 -172.7(4) . . . . ?
C154 C153 C165 O12 9.9(8) . . . . ?
N34 C153 C165 N35 7.6(7) . . . . ?
C154 C153 C165 N35 -169.7(5) . . . . ?
C165 N35 C166 C167 -152.9(5) . . . . ?
Ni8 N35 C166 C167 31.5(7) . . . . ?
N35 C166 C167 C168 -73.0(7) . . . . ?
C172 N36 C168 C169 0.7(7) . . . . ?
Ni8 N36 C168 C169 174.2(4) . . . . ?
C172 N36 C168 C167 -179.9(5) . . . . ?
Ni8 N36 C168 C167 -6.5(6) . . . . ?
C166 C167 C168 N36 60.6(7) . . . . ?
C166 C167 C168 C169 -120.1(6) . . . . ?
N36 C168 C169 C170 -0.8(9) . . . . ?
C167 C168 C169 C170 179.8(6) . . . . ?
C168 C169 C170 C171 0.9(10) . . . . ?
C169 C170 C171 C172 -0.8(9) . . . . ?
C168 N36 C172 C171 -0.7(8) . . . . ?
Ni8 N36 C172 C171 -174.4(4) . . . . ?
C170 C171 C172 N36 0.8(9) . . . . ?
C184 N37 C181 C182 3.0(8) . . . . ?
Ni5 N37 C181 C182 -171.0(4) . . . . ?
C183 N40 C182 C181 -0.5(8) . . . . ?
Ni7 N40 C182 C181 177.1(4) . . . . ?
N37 C181 C182 N40 -2.4(8) . . . . ?
C182 N40 C183 C184 2.7(8) . . . . ?
Ni7 N40 C183 C184 -175.1(4) . . . . ?
C182 N40 C183 C195 177.0(4) . . . . ?
Ni7 N40 C183 C195 -0.8(5) . . . . ?
C181 N37 C184 C183 -0.7(8) . . . . ?
Ni5 N37 C184 C183 173.8(4) . . . . ?
C181 N37 C184 C185 178.7(5) . . . . ?
Ni5 N37 C184 C185 -6.8(6) . . . . ?
N40 C183 C184 N37 -2.1(8) . . . . ?
C195 C183 C184 N37 -175.3(5) . . . . ?
N40 C183 C184 C185 178.6(5) . . . . ?
C195 C183 C184 C185 5.4(9) . . . . ?
C186 N38 C185 O13 -5.9(9) . . . . ?
Ni5 N38 C185 O13 168.9(4) . . . . ?
C186 N38 C185 C184 170.0(5) . . . . ?
Ni5 N38 C185 C184 -15.3(7) . . . . ?
N37 C184 C185 O13 -169.9(5) . . . . ?
C183 C184 C185 O13 9.5(9) . . . . ?
N37 C184 C185 N38 14.2(7) . . . . ?
C183 C184 C185 N38 -166.5(5) . . . . ?
C185 N38 C186 C187 -150.3(6) . . . . ?
Ni5 N38 C186 C187 35.2(7) . . . . ?
N38 C186 C187 C188 -71.3(8) . . . . ?
N26 Ni5 N39 C188 164.4(6) . . . . ?
N38 Ni5 N39 C188 -25.6(6) . . . . ?
N27 Ni5 N39 C188 72.1(7) . . . . ?
N25 Ni5 N39 C188 -119.4(6) . . . . ?
N37 Ni5 N39 C188 -34.7(15) . . . . ?
N26 Ni5 N39 C192 -15.8(6) . . . . ?
N38 Ni5 N39 C192 154.2(6) . . . . ?
N27 Ni5 N39 C192 -108.1(6) . . . . ?
N25 Ni5 N39 C192 60.4(6) . . . . ?
N37 Ni5 N39 C192 145.1(10) . . . . ?
C192 N39 C188 C189 -0.1(13) . . . . ?
Ni5 N39 C188 C189 179.7(7) . . . . ?
C192 N39 C188 C187 -179.7(8) . . . . ?
Ni5 N39 C188 C187 0.1(11) . . . . ?
C186 C187 C188 N39 53.2(11) . . . . ?
C186 C187 C188 C189 -126.4(8) . . . . ?
N39 C188 C189 C190 1.9(16) . . . . ?
C187 C188 C189 C190 -178.5(10) . . . . ?
C188 C189 C190 C191 -3.8(19) . . . . ?
C189 C190 C191 C192 3.6(18) . . . . ?
C188 N39 C192 C191 0.0(14) . . . . ?
Ni5 N39 C192 C191 -179.8(8) . . . . ?
C190 C191 C192 N39 -1.6(16) . . . . ?
C196 N41 C195 O14 5.3(8) . . . . ?
Ni7 N41 C195 O14 -168.8(4) . . . . ?
C196 N41 C195 C183 -172.3(4) . . . . ?
Ni7 N41 C195 C183 13.5(6) . . . . ?
N40 C183 C195 N41 -7.9(7) . . . . ?
C184 C183 C195 N41 165.6(5) . . . . ?
N40 C183 C195 O14 174.3(4) . . . . ?
C184 C183 C195 O14 -12.1(8) . . . . ?
C195 N41 C196 C197 156.7(5) . . . . ?
Ni7 N41 C196 C197 -29.4(6) . . . . ?
N41 C196 C197 C198 72.1(5) . . . . ?
C202 N42 C198 C199 2.1(7) . . . . ?
Ni7 N42 C198 C199 -170.5(4) . . . . ?
C202 N42 C198 C197 178.5(5) . . . . ?
Ni7 N42 C198 C197 5.9(6) . . . . ?
C196 C197 C198 N42 -61.0(6) . . . . ?
C196 C197 C198 C199 115.3(5) . . . . ?
N42 C198 C199 C200 -1.7(8) . . . . ?
C197 C198 C199 C200 -178.0(5) . . . . ?
C198 C199 C200 C201 0.0(8) . . . . ?
C199 C200 C201 C202 1.2(8) . . . . ?
C198 N42 C202 C201 -0.9(8) . . . . ?
Ni7 N42 C202 C201 171.9(4) . . . . ?
C200 C201 C202 N42 -0.8(9) . . . . ?
C214 N43 C211 C212 -2.5(8) . . . . ?
Ni6 N43 C211 C212 173.4(4) . . . . ?
C213 N46 C212 C211 1.8(8) . . . . ?
Ni8 N46 C212 C211 -177.0(4) . . . . ?
N43 C211 C212 N46 1.1(8) . . . . ?
C212 N46 C213 C214 -3.1(8) . . . . ?
Ni8 N46 C213 C214 175.7(4) . . . . ?
C212 N46 C213 C225 179.9(5) . . . . ?
Ni8 N46 C213 C225 -1.2(6) . . . . ?
C211 N43 C214 C213 1.2(8) . . . . ?
Ni6 N43 C214 C213 -175.2(4) . . . . ?
C211 N43 C214 C215 178.3(5) . . . . ?
Ni6 N43 C214 C215 2.0(6) . . . . ?
N46 C213 C214 N43 1.7(8) . . . . ?
C225 C213 C214 N43 178.2(5) . . . . ?
N46 C213 C214 C215 -174.8(5) . . . . ?
C225 C213 C214 C215 1.7(10) . . . . ?
C216 N44 C215 O15 7.6(9) . . . . ?
Ni6 N44 C215 O15 -169.5(4) . . . . ?
C216 N44 C215 C214 -171.0(5) . . . . ?
Ni6 N44 C215 C214 11.9(7) . . . . ?
N43 C214 C215 N44 -8.8(8) . . . . ?
C213 C214 C215 N44 167.9(6) . . . . ?
N43 C214 C215 O15 172.6(5) . . . . ?
C213 C214 C215 O15 -10.7(9) . . . . ?
C215 N44 C216 C217 146.8(6) . . . . ?
Ni6 N44 C216 C217 -36.3(8) . . . . ?
N44 C216 C217 C218 75.6(7) . . . . ?
N44 Ni6 N45 C222 -162.8(7) . . . . ?
N29 Ni6 N45 C222 8.2(7) . . . . ?
N28 Ni6 N45 C222 -69.0(7) . . . . ?
N30 Ni6 N45 C222 99.8(7) . . . . ?
N43 Ni6 N45 C222 -157.5(9) . . . . ?
N44 Ni6 N45 C218 24.7(7) . . . . ?
N29 Ni6 N45 C218 -164.3(7) . . . . ?
N28 Ni6 N45 C218 118.5(7) . . . . ?
N30 Ni6 N45 C218 -72.7(7) . . . . ?
N43 Ni6 N45 C218 30.0(16) . . . . ?
C222 N45 C218 C219 1.4(15) . . . . ?
Ni6 N45 C218 C219 174.3(8) . . . . ?
C222 N45 C218 C217 -168.6(8) . . . . ?
Ni6 N45 C218 C217 4.4(11) . . . . ?
C216 C217 C218 N45 -60.2(10) . . . . ?
C216 C217 C218 C219 129.0(9) . . . . ?
N45 C218 C219 C220 -2.7(19) . . . . ?
C217 C218 C219 C220 167.3(11) . . . . ?
C218 C219 C220 C221 6(2) . . . . ?
C219 C220 C221 C222 -7.2(19) . . . . ?
C218 N45 C222 C221 -3.4(15) . . . . ?
Ni6 N45 C222 C221 -176.6(9) . . . . ?
C220 C221 C222 N45 6.4(18) . . . . ?
C226 N47 C225 O16 -5.0(8) . . . . ?
Ni8 N47 C225 O16 169.8(4) . . . . ?
C226 N47 C225 C213 174.1(4) . . . . ?
Ni8 N47 C225 C213 -11.1(7) . . . . ?
N46 C213 C225 N47 7.7(7) . . . . ?
C214 C213 C225 N47 -169.1(6) . . . . ?
N46 C213 C225 O16 -173.2(5) . . . . ?
C214 C213 C225 O16 10.1(9) . . . . ?
C225 N47 C226 C227 -154.4(5) . . . . ?
Ni8 N47 C226 C227 30.9(6) . . . . ?
N47 C226 C227 C228 -72.6(5) . . . . ?
C232 N48 C228 C229 -1.3(7) . . . . ?
Ni8 N48 C228 C229 169.5(4) . . . . ?
C232 N48 C228 C227 179.5(5) . . . . ?
Ni8 N48 C228 C227 -9.7(6) . . . . ?
C226 C227 C228 N48 62.7(6) . . . . ?
C226 C227 C228 C229 -116.5(5) . . . . ?
N48 C228 C229 C230 1.9(8) . . . . ?
C227 C228 C229 C230 -178.9(5) . . . . ?
C228 C229 C230 C231 -2.6(9) . . . . ?
C229 C230 C231 C232 2.5(9) . . . . ?
C228 N48 C232 C231 1.4(8) . . . . ?
Ni8 N48 C232 C231 -169.8(4) . . . . ?
C230 C231 C232 N48 -2.0(9) . . . . ?
