#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:13:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180382 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/51/7205182.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_7205182
loop_
_publ_author_name
'Zhang, Jing'
'Zhu, Long-Guan'
_publ_section_title
;
 Synthesis, structures, and properties of three coordination compounds
 based on trinickel clusters extended by phenyldicarboxylate ligands
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              553
_journal_paper_doi               10.1039/c0ce00166j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C96 H76 N26 Ni6 O15'
_chemical_formula_weight         2186.09
_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                93.457(1)
_cell_angle_beta                 90.374(1)
_cell_angle_gamma                104.830(1)
_cell_formula_units_Z            2
_cell_length_a                   11.3122(3)
_cell_length_b                   20.4198(5)
_cell_length_c                   21.5152(5)
_cell_measurement_reflns_used    8057
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      23.75
_cell_measurement_theta_min      2.22
_cell_volume                     4794.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker SMART area-detector diffractometer'
_diffrn_measurement_method       'φ and ω scan'
_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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25850
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         0.95
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.233
_exptl_absorpt_correction_T_max  0.8561
_exptl_absorpt_correction_T_min  0.7562
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2237
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.833
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1288
_refine_ls_number_reflns         16639
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0754P)²+2.5402P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1211
_refine_ls_wR_factor_ref         0.1374
_reflns_number_gt                11912
_reflns_number_total             16639
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            C0CE00166J.TXT
_cod_data_source_block           comp-3
_cod_database_code               7205182
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
O1 O 0.3008(2) 0.32962(14) -0.10672(12) 0.0414(7) Uani 1 1 d . . .
O7 O -0.2668(3) 0.18119(15) -0.40424(13) 0.0494(8) Uani 1 1 d . . .
N24 N -0.0239(3) 0.22386(17) 0.10537(15) 0.0370(8) Uani 1 1 d . . .
C82 C 0.4482(3) 0.3611(2) -0.02545(18) 0.0362(9) Uani 1 1 d . . .
O2 O 0.4032(4) 0.25373(18) -0.08284(16) 0.0699(10) Uani 1 1 d . . .
C76 C -0.1193(4) 0.1771(2) 0.12786(18) 0.0360(9) Uani 1 1 d . . .
C34 C -0.1788(4) 0.3122(2) -0.1135(2) 0.0420(10) Uani 1 1 d . . .
H34 H -0.2593 0.2966 -0.1281 0.050 Uiso 1 1 calc R . .
C66 C 0.0711(4) 0.1888(2) 0.34055(18) 0.0371(10) Uani 1 1 d . . .
C40 C -0.3124(4) 0.1118(2) -0.2810(2) 0.0429(10) Uani 1 1 d . . .
H40 H -0.3229 0.0939 -0.3221 0.051 Uiso 1 1 calc R . .
C81 C 0.3780(4) 0.3089(2) -0.07561(19) 0.0420(10) Uani 1 1 d . . .
C67 C 0.1778(4) 0.1862(2) 0.3730(2) 0.0469(11) Uani 1 1 d . . .
H67 H 0.2478 0.1843 0.3514 0.056 Uiso 1 1 calc R . .
C36 C -0.2070(3) 0.1960(2) -0.20836(18) 0.0337(9) Uani 1 1 d . . .
C70 C -0.0254(4) 0.1962(2) 0.4344(2) 0.0515(12) Uani 1 1 d . . .
H70 H -0.0941 0.2009 0.4560 0.062 Uiso 1 1 calc R . .
C33 C -0.1511(5) 0.3551(2) -0.0605(2) 0.0509(12) Uani 1 1 d . . .
H33 H -0.2132 0.3669 -0.0380 0.061 Uiso 1 1 calc R . .
C37 C -0.2788(4) 0.1622(2) -0.1611(2) 0.0463(11) Uani 1 1 d . . .
H37 H -0.2676 0.1800 -0.1200 0.056 Uiso 1 1 calc R . .
C77 C -0.2180(4) 0.1433(2) 0.0882(2) 0.0523(12) Uani 1 1 d . . .
H77 H -0.2848 0.1128 0.1041 0.063 Uiso 1 1 calc R . .
C31 C 0.0585(4) 0.3614(2) -0.07583(19) 0.0449(11) Uani 1 1 d . . .
H31 H 0.1399 0.3795 -0.0635 0.054 Uiso 1 1 calc R . .
C35 C -0.0845(4) 0.2922(2) -0.14530(18) 0.0346(9) Uani 1 1 d . . .
O4 O 0.2648(3) 0.31931(16) 0.11162(14) 0.0509(8) Uani 1 1 d . . .
O8 O -0.3019(3) 0.25015(17) -0.47420(15) 0.0629(9) Uani 1 1 d . . .
C83 C 0.4135(4) 0.3604(2) 0.03654(19) 0.0404(10) Uani 1 1 d . . .
C89 C -0.3220(4) 0.1952(2) -0.45035(19) 0.0397(10) Uani 1 1 d . . .
O5 O 0.5631(3) 0.3681(2) -0.14197(17) 0.0770(11) Uani 1 1 d . . .
C87 C 0.5507(4) 0.4116(2) -0.04020(19) 0.0398(10) Uani 1 1 d . . .
C90 C -0.4275(4) 0.1371(2) -0.47696(18) 0.0366(9) Uani 1 1 d . . .
N25 N 0.5895(3) 0.4173(2) -0.1060(2) 0.0512(10) Uani 1 1 d . . .
C84 C 0.4839(4) 0.4068(2) 0.0809(2) 0.0490(11) Uani 1 1 d . . .
H84 H 0.4613 0.4054 0.1224 0.059 Uiso 1 1 calc R . .
O3 O 0.2542(4) 0.2602(3) 0.02245(19) 0.125(2) Uani 1 1 d . . .
C39 C -0.3813(4) 0.0756(2) -0.2364(2) 0.0507(12) Uani 1 1 d . . .
H39 H -0.4369 0.0341 -0.2467 0.061 Uiso 1 1 calc R . .
C88 C 0.2988(4) 0.3107(3) 0.0581(2) 0.0556(13) Uani 1 1 d . . .
C86 C 0.6208(4) 0.4579(2) 0.0032(2) 0.0515(12) Uani 1 1 d . . .
H86 H 0.6893 0.4904 -0.0087 0.062 Uiso 1 1 calc R . .
C24 C -0.0092(4) 0.0778(2) -0.1788(2) 0.0502(12) Uani 1 1 d . . .
H24 H -0.0546 0.0453 -0.2078 0.060 Uiso 1 1 calc R . .
C22 C 0.0754(5) 0.1093(3) -0.0759(2) 0.0638(15) Uani 1 1 d . . .
H22 H 0.0886 0.0983 -0.0356 0.077 Uiso 1 1 calc R . .
C38 C -0.3656(4) 0.1025(3) -0.1761(2) 0.0564(13) Uani 1 1 d . . .
H38 H -0.4140 0.0802 -0.1451 0.068 Uiso 1 1 calc R . .
C85 C 0.5872(4) 0.4550(3) 0.0644(2) 0.0578(13) Uani 1 1 d . . .
H85 H 0.6336 0.4854 0.0947 0.069 Uiso 1 1 calc R . .
C21 C 0.1215(4) 0.1736(2) -0.0948(2) 0.0545(13) Uani 1 1 d . . .
H21 H 0.1650 0.2066 -0.0657 0.065 Uiso 1 1 calc R . .
C23 C 0.0085(5) 0.0617(3) -0.1194(2) 0.0651(15) Uani 1 1 d . . .
H23 H -0.0253 0.0177 -0.1080 0.078 Uiso 1 1 calc R . .
C12 C 0.4527(5) 0.2119(3) -0.2707(3) 0.0651(14) Uani 1 1 d . . .
H12 H 0.5202 0.1977 -0.2578 0.078 Uiso 1 1 calc R . .
N26 N -0.6070(4) 0.06434(19) -0.62271(18) 0.0486(9) Uani 1 1 d . . .
C91 C -0.4641(3) 0.1305(2) -0.53985(18) 0.0341(9) Uani 1 1 d . . .
C92 C -0.5673(4) 0.0783(2) -0.55692(18) 0.0384(10) Uani 1 1 d . . .
C96 C -0.4008(4) 0.1810(2) -0.58687(18) 0.0400(10) Uani 1 1 d . . .
C95 C -0.4940(4) 0.0917(2) -0.43589(19) 0.0468(11) Uani 1 1 d . . .
H95 H -0.4666 0.0950 -0.3947 0.056 Uiso 1 1 calc R . .
C93 C -0.6354(4) 0.0358(2) -0.5154(2) 0.0510(12) Uani 1 1 d . . .
H93 H -0.7057 0.0030 -0.5288 0.061 Uiso 1 1 calc R . .
C94 C -0.5979(4) 0.0426(2) -0.4538(2) 0.0534(12) Uani 1 1 d . . .
H94 H -0.6421 0.0144 -0.4250 0.064 Uiso 1 1 calc R . .
C68 C 0.1784(5) 0.1866(3) 0.4360(2) 0.0571(13) Uani 1 1 d . . .
H68 H 0.2480 0.1836 0.4577 0.069 Uiso 1 1 calc R . .
C49 C 0.0514(5) 0.4689(2) 0.1210(2) 0.0586(13) Uani 1 1 d . . .
H49 H 0.0947 0.5063 0.1008 0.070 Uiso 1 1 calc R . .
C80 C -0.0257(4) 0.2351(3) 0.0449(2) 0.0552(13) Uani 1 1 d . . .
H80 H 0.0396 0.2673 0.0298 0.066 Uiso 1 1 calc R . .
C69 C 0.0746(5) 0.1916(3) 0.4680(2) 0.0615(14) Uani 1 1 d . . .
H69 H 0.0732 0.1918 0.5112 0.074 Uiso 1 1 calc R . .
O6 O 0.6472(5) 0.4718(2) -0.1208(2) 0.1180(19) Uani 1 1 d . . .
C78 C -0.2163(5) 0.1551(3) 0.0263(2) 0.0680(16) Uani 1 1 d . . .
H78 H -0.2803 0.1320 -0.0005 0.082 Uiso 1 1 calc R . .
C79 C -0.1174(5) 0.2022(3) 0.0041(2) 0.0715(17) Uani 1 1 d . . .
H79 H -0.1136 0.2112 -0.0378 0.086 Uiso 1 1 calc R . .
O10 O -0.4575(3) 0.22115(16) -0.60302(14) 0.0541(8) Uani 1 1 d . . .
O12 O -0.7156(3) 0.0401(2) -0.63446(17) 0.0754(11) Uani 1 1 d . . .
O11 O -0.5310(4) 0.0732(2) -0.66258(16) 0.0791(12) Uani 1 1 d . . .
C32 C -0.0306(5) 0.3803(2) -0.0410(2) 0.0505(12) Uani 1 1 d . . .
H32 H -0.0101 0.4093 -0.0054 0.061 Uiso 1 1 calc R . .
O9 O -0.2978(3) 0.17442(15) -0.60537(13) 0.0434(7) Uani 1 1 d . . .
O1W O -0.4907(6) 0.3148(3) -0.5029(3) 0.156(2) Uani 1 1 d . . .
O2W O 0.4587(17) 0.1612(9) -0.0127(5) 0.458(12) Uani 1 1 d . . .
O3W O -0.4266(15) 0.4567(7) -0.4809(9) 0.421(9) Uani 1 1 d . . .
Ni4 Ni 0.12081(5) 0.27932(3) 0.16475(2) 0.03457(14) Uani 1 1 d . . .
Ni3 Ni -0.13148(5) 0.22464(3) -0.34193(2) 0.03538(14) Uani 1 1 d . . .
Ni6 Ni -0.18354(5) 0.21147(3) 0.32490(2) 0.03558(14) Uani 1 1 d . . .
Ni5 Ni -0.03242(4) 0.24527(2) 0.24388(2) 0.03178(13) Uani 1 1 d . . .
Ni2 Ni 0.02039(4) 0.25864(2) -0.25838(2) 0.03101(13) Uani 1 1 d . . .
Ni1 Ni 0.17745(4) 0.29085(3) -0.17623(2) 0.03268(13) Uani 1 1 d . . .
N5 N 0.1435(3) 0.27027(17) -0.31918(15) 0.0375(8) Uani 1 1 d . . .
N20 N 0.0646(3) 0.19170(16) 0.27648(14) 0.0334(8) Uani 1 1 d . . .
N11 N -0.1041(3) 0.24860(17) -0.19831(15) 0.0343(8) Uani 1 1 d . . .
N19 N -0.0301(3) 0.19432(17) 0.37193(15) 0.0379(8) Uani 1 1 d . . .
N23 N -0.1157(3) 0.16951(16) 0.19103(14) 0.0346(8) Uani 1 1 d . . .
N2 N 0.0172(3) 0.35034(16) -0.26324(15) 0.0350(8) Uani 1 1 d . . .
N8 N 0.0251(3) 0.16669(17) -0.25353(15) 0.0359(8) Uani 1 1 d . . .
N14 N -0.1279(3) 0.29853(17) 0.20904(15) 0.0371(8) Uani 1 1 d . . .
N16 N -0.1268(3) 0.31322(17) 0.35556(15) 0.0401(8) Uani 1 1 d . . .
N17 N 0.0492(3) 0.32114(17) 0.29768(15) 0.0376(8) Uani 1 1 d . . .
N3 N -0.1746(3) 0.31464(17) -0.31201(15) 0.0376(8) Uani 1 1 d . . .
N6 N 0.0072(3) 0.28555(18) -0.39366(15) 0.0406(8) Uani 1 1 d . . .
C16 C 0.1243(4) 0.2975(2) -0.37380(18) 0.0424(10) Uani 1 1 d . . .
N15 N 0.0435(3) 0.36119(16) 0.16108(15) 0.0391(8) Uani 1 1 d . . .
N10 N 0.0337(3) 0.31801(16) -0.12697(14) 0.0345(8) Uani 1 1 d . . .
N18 N 0.2278(3) 0.32454(17) 0.24463(15) 0.0393(8) Uani 1 1 d . . .
N9 N -0.0560(3) 0.14193(17) -0.35390(15) 0.0395(8) Uani 1 1 d . . .
C48 C -0.0675(5) 0.4636(2) 0.1388(2) 0.0599(14) Uani 1 1 d . . .
H48 H -0.1053 0.4977 0.1306 0.072 Uiso 1 1 calc R . .
N21 N 0.1571(3) 0.18797(16) 0.18117(14) 0.0353(8) Uani 1 1 d . . .
C56 C 0.1754(4) 0.3390(2) 0.29870(19) 0.0397(10) Uani 1 1 d . . .
C25 C 0.0427(4) 0.1445(2) -0.19530(19) 0.0362(9) Uani 1 1 d . . .
C65 C 0.1309(3) 0.1604(2) 0.23721(18) 0.0347(9) Uani 1 1 d . . .
C13 C 0.4238(5) 0.2110(3) -0.3327(3) 0.0697(16) Uani 1 1 d . . .
H13 H 0.4729 0.1970 -0.3625 0.084 Uiso 1 1 calc R . .
C58 C 0.3719(5) 0.3719(3) 0.3500(2) 0.0681(15) Uani 1 1 d . . .
H58 H 0.4207 0.3884 0.3853 0.082 Uiso 1 1 calc R . .
N7 N 0.1076(3) 0.19188(17) -0.15310(15) 0.0367(8) Uani 1 1 d . . .
C53 C -0.0498(5) 0.4483(2) 0.3995(2) 0.0580(13) Uani 1 1 d . . .
H53 H -0.0237 0.4934 0.4147 0.070 Uiso 1 1 calc R . .
C15 C 0.2506(4) 0.2535(2) -0.30570(19) 0.0396(10) Uani 1 1 d . . .
C75 C -0.1778(4) 0.1100(2) 0.21636(19) 0.0373(10) Uani 1 1 d . . .
C8 C -0.2348(5) 0.4333(3) -0.2733(3) 0.0645(14) Uani 1 1 d . . .
H8 H -0.2555 0.4730 -0.2599 0.077 Uiso 1 1 calc R . .
C17 C 0.2179(5) 0.3412(3) -0.4054(2) 0.0612(14) Uani 1 1 d . . .
H17 H 0.2990 0.3488 -0.3920 0.073 Uiso 1 1 calc R . .
C43 C -0.4520(4) 0.2451(3) 0.1600(2) 0.0592(14) Uani 1 1 d . . .
H43 H -0.5037 0.2482 0.1271 0.071 Uiso 1 1 calc R . .
C30 C -0.0719(4) 0.1032(2) -0.4079(2) 0.0496(12) Uani 1 1 d . . .
H30 H -0.1147 0.1158 -0.4402 0.060 Uiso 1 1 calc R . .
C6 C -0.0914(4) 0.3649(2) -0.27902(18) 0.0386(10) Uani 1 1 d . . .
C11 C 0.3803(4) 0.2343(2) -0.2285(2) 0.0498(11) Uani 1 1 d . . .
H11 H 0.3999 0.2345 -0.1864 0.060 Uiso 1 1 calc R . .
N4 N 0.2820(3) 0.25604(17) -0.24410(15) 0.0385(8) Uani 1 1 d . . .
C27 C 0.0549(5) 0.0675(2) -0.3151(2) 0.0566(13) Uani 1 1 d . . .
H27 H 0.1001 0.0561 -0.2831 0.068 Uiso 1 1 calc R . .
N22 N -0.2104(3) 0.11635(16) 0.27666(15) 0.0361(8) Uani 1 1 d . . .
N1 N 0.2120(3) 0.38306(16) -0.21956(15) 0.0361(8) Uani 1 1 d . . .
C19 C 0.0680(5) 0.3611(3) -0.4749(2) 0.0662(15) Uani 1 1 d . . .
H19 H 0.0463 0.3821 -0.5087 0.079 Uiso 1 1 calc R . .
C41 C -0.4182(4) 0.2041(3) 0.2555(2) 0.0520(12) Uani 1 1 d . . .
H41 H -0.4489 0.1780 0.2885 0.062 Uiso 1 1 calc R . .
C3 C 0.2715(5) 0.5009(2) -0.2822(2) 0.0625(14) Uani 1 1 d . . .
H3 H 0.2912 0.5409 -0.3027 0.075 Uiso 1 1 calc R . .
C28 C 0.0354(5) 0.0287(3) -0.3708(3) 0.0644(14) Uani 1 1 d . . .
H28 H 0.0661 -0.0094 -0.3762 0.077 Uiso 1 1 calc R . .
C64 C 0.1669(4) 0.1012(2) 0.2492(2) 0.0436(11) Uani 1 1 d . . .
H64 H 0.1509 0.0825 0.2876 0.052 Uiso 1 1 calc R . .
C45 C -0.2538(4) 0.2721(2) 0.20822(18) 0.0383(10) Uani 1 1 d . . .
C46 C -0.0729(4) 0.3556(2) 0.17898(18) 0.0392(10) Uani 1 1 d . . .
C59 C 0.4246(4) 0.3561(3) 0.2954(2) 0.0641(14) Uani 1 1 d . . .
H59 H 0.5085 0.3609 0.2934 0.077 Uiso 1 1 calc R . .
C71 C -0.2678(4) 0.0597(2) 0.3045(2) 0.0468(11) Uani 1 1 d . . .
H71 H -0.2884 0.0641 0.3461 0.056 Uiso 1 1 calc R . .
N12 N -0.2299(3) 0.17211(16) -0.26845(15) 0.0351(8) Uani 1 1 d . . .
C42 C -0.4980(4) 0.2089(3) 0.2093(2) 0.0615(14) Uani 1 1 d . . .
H42 H -0.5811 0.1881 0.2115 0.074 Uiso 1 1 calc R . .
C60 C 0.3500(4) 0.3334(2) 0.2447(2) 0.0487(11) Uani 1 1 d . . .
H60 H 0.3855 0.3233 0.2077 0.058 Uiso 1 1 calc R . .
C29 C -0.0295(5) 0.0467(3) -0.4181(2) 0.0634(14) Uani 1 1 d . . .
H29 H -0.0441 0.0212 -0.4560 0.076 Uiso 1 1 calc R . .
C44 C -0.3296(4) 0.2771(2) 0.1584(2) 0.0490(11) Uani 1 1 d . . .
H44 H -0.2979 0.3017 0.1246 0.059 Uiso 1 1 calc R . .
C5 C 0.1265(4) 0.3992(2) -0.25543(18) 0.0357(9) Uani 1 1 d . . .
C61 C 0.2087(4) 0.1548(2) 0.1368(2) 0.0450(11) Uani 1 1 d . . .
H61 H 0.2211 0.1724 0.0978 0.054 Uiso 1 1 calc R . .
C4 C 0.1558(4) 0.4589(2) -0.2876(2) 0.0497(12) Uani 1 1 d . . .
H4 H 0.0969 0.4698 -0.3125 0.060 Uiso 1 1 calc R . .
N13 N -0.2984(3) 0.23464(18) 0.25640(15) 0.0394(8) Uani 1 1 d . . .
C52 C -0.1623(5) 0.4085(3) 0.4159(2) 0.0612(14) Uani 1 1 d . . .
H52 H -0.2129 0.4263 0.4421 0.073 Uiso 1 1 calc R . .
C50 C 0.1041(4) 0.4176(2) 0.1338(2) 0.0481(11) Uani 1 1 d . . .
H50 H 0.1853 0.4219 0.1233 0.058 Uiso 1 1 calc R . .
C14 C 0.3221(4) 0.2307(3) -0.3510(2) 0.0584(13) Uani 1 1 d . . .
H14 H 0.3008 0.2288 -0.3930 0.070 Uiso 1 1 calc R . .
C20 C -0.0192(5) 0.3181(2) -0.4426(2) 0.0519(12) Uani 1 1 d . . .
H20 H -0.1007 0.3108 -0.4550 0.062 Uiso 1 1 calc R . .
C62 C 0.2432(4) 0.0970(2) 0.1465(2) 0.0524(12) Uani 1 1 d . . .
H62 H 0.2779 0.0756 0.1148 0.063 Uiso 1 1 calc R . .
C57 C 0.2482(4) 0.3633(3) 0.3524(2) 0.0553(13) Uani 1 1 d . . .
H57 H 0.2126 0.3736 0.3894 0.066 Uiso 1 1 calc R . .
C55 C -0.0160(4) 0.3519(2) 0.33857(19) 0.0412(10) Uani 1 1 d . . .
C2 C 0.3591(5) 0.4837(2) -0.2461(2) 0.0592(13) Uani 1 1 d . . .
H2 H 0.4385 0.5113 -0.2423 0.071 Uiso 1 1 calc R . .
C9 C -0.3185(5) 0.3824(3) -0.3071(3) 0.0654(15) Uani 1 1 d . . .
H9 H -0.3956 0.3872 -0.3175 0.078 Uiso 1 1 calc R . .
C47 C -0.1299(4) 0.4080(2) 0.1685(2) 0.0512(12) Uani 1 1 d . . .
H47 H -0.2092 0.4048 0.1817 0.061 Uiso 1 1 calc R . .
C54 C 0.0231(5) 0.4208(2) 0.3604(2) 0.0495(12) Uani 1 1 d . . .
H54 H 0.0980 0.4475 0.3484 0.059 Uiso 1 1 calc R . .
C74 C -0.2016(4) 0.0455(2) 0.1851(2) 0.0486(11) Uani 1 1 d . . .
H74 H -0.1755 0.0409 0.1446 0.058 Uiso 1 1 calc R . .
C7 C -0.1218(5) 0.4254(2) -0.2597(2) 0.0526(12) Uani 1 1 d . . .
H7 H -0.0647 0.4601 -0.2376 0.063 Uiso 1 1 calc R . .
C26 C 0.0067(4) 0.1239(2) -0.30677(19) 0.0389(10) Uani 1 1 d . . .
C51 C -0.1977(5) 0.3422(3) 0.3929(2) 0.0537(12) Uani 1 1 d . . .
H51 H -0.2740 0.3159 0.4034 0.064 Uiso 1 1 calc R . .
C18 C 0.1892(5) 0.3727(3) -0.4562(2) 0.0699(16) Uani 1 1 d . . .
H18 H 0.2505 0.4013 -0.4777 0.084 Uiso 1 1 calc R . .
C63 C 0.2253(4) 0.0706(2) 0.2047(2) 0.0510(12) Uani 1 1 d . . .
H63 H 0.2526 0.0329 0.2136 0.061 Uiso 1 1 calc R . .
C73 C -0.2635(4) -0.0109(2) 0.2143(2) 0.0532(12) Uani 1 1 d . . .
H73 H -0.2822 -0.0535 0.1932 0.064 Uiso 1 1 calc R . .
C1 C 0.3253(4) 0.4245(2) -0.2158(2) 0.0465(11) Uani 1 1 d . . .
H1 H 0.3839 0.4127 -0.1914 0.056 Uiso 1 1 calc R . .
C10 C -0.2843(4) 0.3243(3) -0.3249(2) 0.0522(12) Uani 1 1 d . . .
H10 H -0.3409 0.2896 -0.3473 0.063 Uiso 1 1 calc R . .
C72 C -0.2974(4) -0.0035(2) 0.2752(2) 0.0544(13) Uani 1 1 d . . .
H72 H -0.3395 -0.0409 0.2958 0.065 Uiso 1 1 calc R . .
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'
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
C81 O1 Ni1 136.3(3) . . ?
C89 O7 Ni3 140.7(3) . . ?
C80 N24 C76 118.3(4) . . ?
C80 N24 Ni4 120.8(3) . . ?
C76 N24 Ni4 120.9(3) . . ?
C83 C82 C87 117.0(4) . . ?
C83 C82 C81 122.1(4) . . ?
C87 C82 C81 121.0(4) . . ?
N24 C76 N23 116.0(3) . . ?
N24 C76 C77 120.0(4) . . ?
N23 C76 C77 123.8(4) . . ?
C33 C34 C35 119.4(4) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
N19 C66 N20 115.9(3) . . ?
N19 C66 C67 120.5(4) . . ?
N20 C66 C67 123.3(4) . . ?
N12 C40 C39 123.4(4) . . ?
N12 C40 H40 118.3 . . ?
C39 C40 H40 118.3 . . ?
O2 C81 O1 127.3(4) . . ?
O2 C81 C82 118.7(4) . . ?
O1 C81 C82 113.9(4) . . ?
C68 C67 C66 119.8(4) . . ?
C68 C67 H67 120.1 . . ?
C66 C67 H67 120.1 . . ?
N12 C36 N11 115.1(3) . . ?
N12 C36 C37 119.7(4) . . ?
N11 C36 C37 124.8(4) . . ?
N19 C70 C69 123.6(4) . . ?
N19 C70 H70 118.2 . . ?
C69 C70 H70 118.2 . . ?
C34 C33 C32 119.6(4) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C38 C37 C36 119.4(4) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C78 C77 C76 120.3(4) . . ?
C78 C77 H77 119.9 . . ?
C76 C77 H77 119.9 . . ?
N10 C31 C32 123.3(4) . . ?
N10 C31 H31 118.3 . . ?
C32 C31 H31 118.3 . . ?
N10 C35 N11 115.7(3) . . ?
N10 C35 C34 120.8(4) . . ?
N11 C35 C34 123.4(4) . . ?
C88 O4 Ni4 138.0(3) . . ?
C82 C83 C84 119.8(4) . . ?
C82 C83 C88 122.2(4) . . ?
C84 C83 C88 118.0(4) . . ?
O8 C89 O7 126.8(4) . . ?
O8 C89 C90 118.4(4) . . ?
O7 C89 C90 114.7(4) . . ?
C86 C87 C82 123.7(4) . . ?
C86 C87 N25 116.5(4) . . ?
C82 C87 N25 119.8(4) . . ?
C95 C90 C91 119.2(4) . . ?
C95 C90 C89 118.3(4) . . ?
C91 C90 C89 122.4(4) . . ?
O6 N25 O5 122.6(4) . . ?
O6 N25 C87 117.6(4) . . ?
O5 N25 C87 119.8(4) . . ?
C85 C84 C83 121.2(4) . . ?
C85 C84 H84 119.4 . . ?
C83 C84 H84 119.4 . . ?
C40 C39 C38 117.8(4) . . ?
C40 C39 H39 121.1 . . ?
C38 C39 H39 121.1 . . ?
O4 C88 O3 124.6(4) . . ?
O4 C88 C83 118.2(4) . . ?
O3 C88 C83 116.7(4) . . ?
C85 C86 C87 118.3(4) . . ?
C85 C86 H86 120.8 . . ?
C87 C86 H86 120.8 . . ?
C23 C24 C25 118.7(4) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C21 C22 C23 117.0(4) . . ?
C21 C22 H22 121.5 . . ?
C23 C22 H22 121.5 . . ?
C39 C38 C37 120.5(4) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C86 C85 C84 119.9(4) . . ?
C86 C85 H85 120.0 . . ?
C84 C85 H85 120.0 . . ?
N7 C21 C22 123.9(4) . . ?
N7 C21 H21 118.0 . . ?
C22 C21 H21 118.0 . . ?
C24 C23 C22 121.2(4) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C11 C12 C13 118.3(5) . . ?
C11 C12 H12 120.8 . . ?
C13 C12 H12 120.8 . . ?
O11 N26 O12 122.5(4) . . ?
O11 N26 C92 119.2(4) . . ?
O12 N26 C92 118.1(4) . . ?
C92 C91 C90 116.5(4) . . ?
C92 C91 C96 121.2(3) . . ?
C90 C91 C96 122.2(4) . . ?
C93 C92 C91 123.8(4) . . ?
C93 C92 N26 116.0(4) . . ?
C91 C92 N26 120.2(4) . . ?
O10 C96 O9 128.4(4) . . ?
O10 C96 C91 116.0(4) . . ?
O9 C96 C91 115.6(4) . . ?
C94 C95 C90 122.8(4) . . ?
C94 C95 H95 118.6 . . ?
C90 C95 H95 118.6 . . ?
C94 C93 C92 119.1(4) . . ?
C94 C93 H93 120.4 . . ?
C92 C93 H93 120.4 . . ?
C95 C94 C93 118.6(4) . . ?
C95 C94 H94 120.7 . . ?
C93 C94 H94 120.7 . . ?
C67 C68 C69 119.6(4) . . ?
C67 C68 H68 120.2 . . ?
C69 C68 H68 120.2 . . ?
C50 C49 C48 118.4(4) . . ?
C50 C49 H49 120.8 . . ?
C48 C49 H49 120.8 . . ?
N24 C80 C79 123.9(4) . . ?
N24 C80 H80 118.0 . . ?
C79 C80 H80 118.0 . . ?
C70 C69 C68 118.3(4) . . ?
C70 C69 H69 120.8 . . ?
C68 C69 H69 120.8 . . ?
C77 C78 C79 118.7(5) . . ?
C77 C78 H78 120.6 . . ?
C79 C78 H78 120.6 . . ?
C80 C79 C78 118.7(4) . . ?
C80 C79 H79 120.6 . . ?
C78 C79 H79 120.6 . . ?
C31 C32 C33 118.3(4) . . ?
C31 C32 H32 120.9 . . ?
C33 C32 H32 120.9 . . ?
C96 O9 Ni6 135.3(3) . 1_554 ?
O4 Ni4 N21 99.86(13) . . ?
O4 Ni4 N15 95.05(13) . . ?
N21 Ni4 N15 165.07(13) . . ?
O4 Ni4 N24 108.20(13) . . ?
N21 Ni4 N24 87.17(13) . . ?
N15 Ni4 N24 87.37(13) . . ?
O4 Ni4 N18 88.75(13) . . ?
N21 Ni4 N18 89.61(13) . . ?
N15 Ni4 N18 91.57(13) . . ?
N24 Ni4 N18 163.05(13) . . ?
O4 Ni4 Ni5 169.59(10) . . ?
N21 Ni4 Ni5 82.71(9) . . ?
N15 Ni4 Ni5 82.77(9) . . ?
N24 Ni4 Ni5 81.93(9) . . ?
N18 Ni4 Ni5 81.16(9) . . ?
O7 Ni3 N9 91.04(13) . . ?
O7 Ni3 N3 103.10(13) . . ?
N9 Ni3 N3 165.71(13) . . ?
O7 Ni3 N6 105.37(12) . . ?
N9 Ni3 N6 92.00(13) . . ?
N3 Ni3 N6 86.26(13) . . ?
O7 Ni3 N12 91.78(12) . . ?
N9 Ni3 N12 85.58(13) . . ?
N3 Ni3 N12 91.87(13) . . ?
N6 Ni3 N12 162.73(13) . . ?
O7 Ni3 Ni2 170.14(9) . . ?
N9 Ni3 Ni2 83.07(9) . . ?
N3 Ni3 Ni2 82.65(9) . . ?
N6 Ni3 Ni2 82.81(9) . . ?
N12 Ni3 Ni2 79.93(9) . . ?
O9 Ni6 N16 100.33(13) 1_556 . ?
O9 Ni6 N22 93.67(12) 1_556 . ?
N16 Ni6 N22 165.97(13) . . ?
O9 Ni6 N13 104.72(12) 1_556 . ?
N16 Ni6 N13 90.43(13) . . ?
N22 Ni6 N13 86.87(13) . . ?
O9 Ni6 N19 92.26(12) 1_556 . ?
N16 Ni6 N19 89.16(13) . . ?
N22 Ni6 N19 89.38(13) . . ?
N13 Ni6 N19 162.80(13) . . ?
O9 Ni6 Ni5 172.80(9) 1_556 . ?
N16 Ni6 Ni5 83.80(9) . . ?
N22 Ni6 Ni5 82.18(9) . . ?
N13 Ni6 Ni5 81.02(9) . . ?
N19 Ni6 Ni5 81.84(9) . . ?
N20 Ni5 N14 178.42(14) . . ?
N20 Ni5 N23 89.46(14) . . ?
N14 Ni5 N23 89.77(14) . . ?
N20 Ni5 N17 90.74(14) . . ?
N14 Ni5 N17 90.04(14) . . ?
N23 Ni5 N17 179.18(14) . . ?
N20 Ni5 Ni4 88.75(9) . . ?
N14 Ni5 Ni4 89.87(10) . . ?
N23 Ni5 Ni4 90.34(10) . . ?
N17 Ni5 Ni4 90.45(10) . . ?
N20 Ni5 Ni6 90.55(9) . . ?
N14 Ni5 Ni6 90.84(10) . . ?
N23 Ni5 Ni6 90.41(10) . . ?
N17 Ni5 Ni6 88.80(10) . . ?
Ni4 Ni5 Ni6 178.96(3) . . ?
N2 Ni2 N5 89.75(14) . . ?
N2 Ni2 N11 89.09(14) . . ?
N5 Ni2 N11 178.70(14) . . ?
N2 Ni2 N8 179.51(14) . . ?
N5 Ni2 N8 89.89(14) . . ?
N11 Ni2 N8 91.28(14) . . ?
N2 Ni2 Ni3 90.45(10) . . ?
N5 Ni2 Ni3 88.53(10) . . ?
N11 Ni2 Ni3 90.89(10) . . ?
N8 Ni2 Ni3 89.86(10) . . ?
N2 Ni2 Ni1 90.71(10) . . ?
N5 Ni2 Ni1 89.98(10) . . ?
N11 Ni2 Ni1 90.63(10) . . ?
N8 Ni2 Ni1 88.97(10) . . ?
Ni3 Ni2 Ni1 178.10(3) . . ?
O1 Ni1 N7 102.67(12) . . ?
O1 Ni1 N4 102.97(12) . . ?
N7 Ni1 N4 89.00(13) . . ?
O1 Ni1 N1 93.11(12) . . ?
N7 Ni1 N1 164.19(13) . . ?
N4 Ni1 N1 88.39(13) . . ?
O1 Ni1 N10 92.80(12) . . ?
N7 Ni1 N10 88.88(13) . . ?
N4 Ni1 N10 164.17(13) . . ?
N1 Ni1 N10 89.40(13) . . ?
O1 Ni1 Ni2 172.14(9) . . ?
N7 Ni1 Ni2 83.13(9) . . ?
N4 Ni1 Ni2 82.25(9) . . ?
N1 Ni1 Ni2 81.07(9) . . ?
N10 Ni1 Ni2 81.93(9) . . ?
C16 N5 C15 122.5(3) . . ?
C16 N5 Ni2 118.8(3) . . ?
C15 N5 Ni2 118.7(3) . . ?
C65 N20 C66 122.0(3) . . ?
C65 N20 Ni5 119.9(2) . . ?
C66 N20 Ni5 118.0(3) . . ?
C36 N11 C35 123.2(3) . . ?
C36 N11 Ni2 117.9(3) . . ?
C35 N11 Ni2 118.8(3) . . ?
C70 N19 C66 118.1(4) . . ?
C70 N19 Ni6 120.4(3) . . ?
C66 N19 Ni6 121.1(2) . . ?
C76 N23 C75 121.4(3) . . ?
C76 N23 Ni5 118.3(3) . . ?
C75 N23 Ni5 120.1(3) . . ?
C5 N2 C6 123.1(3) . . ?
C5 N2 Ni2 117.6(3) . . ?
C6 N2 Ni2 119.0(3) . . ?
C26 N8 C25 122.3(3) . . ?
C26 N8 Ni2 119.7(3) . . ?
C25 N8 Ni2 118.0(3) . . ?
C46 N14 C45 122.3(3) . . ?
C46 N14 Ni5 120.5(3) . . ?
C45 N14 Ni5 116.7(3) . . ?
C51 N16 C55 118.9(4) . . ?
C51 N16 Ni6 121.1(3) . . ?
C55 N16 Ni6 120.0(3) . . ?
C55 N17 C56 121.6(4) . . ?
C55 N17 Ni5 120.4(3) . . ?
C56 N17 Ni5 117.6(3) . . ?
C10 N3 C6 118.6(4) . . ?
C10 N3 Ni3 120.7(3) . . ?
C6 N3 Ni3 120.7(3) . . ?
C16 N6 C20 119.0(4) . . ?
C16 N6 Ni3 119.1(3) . . ?
C20 N6 Ni3 121.6(3) . . ?
N6 C16 N5 116.2(4) . . ?
N6 C16 C17 120.2(4) . . ?
N5 C16 C17 123.3(4) . . ?
C50 N15 C46 119.1(4) . . ?
C50 N15 Ni4 119.9(3) . . ?
C46 N15 Ni4 120.5(3) . . ?
C31 N10 C35 118.4(4) . . ?
C31 N10 Ni1 120.3(3) . . ?
C35 N10 Ni1 121.3(3) . . ?
C60 N18 C56 118.2(4) . . ?
C60 N18 Ni4 120.0(3) . . ?
C56 N18 Ni4 121.5(3) . . ?
C30 N9 C26 118.0(4) . . ?
C30 N9 Ni3 121.1(3) . . ?
C26 N9 Ni3 120.8(3) . . ?
C47 C48 C49 119.9(4) . . ?
C47 C48 H48 120.0 . . ?
C49 C48 H48 120.0 . . ?
C61 N21 C65 119.1(3) . . ?
C61 N21 Ni4 120.6(3) . . ?
C65 N21 Ni4 120.3(3) . . ?
N18 C56 N17 115.3(4) . . ?
N18 C56 C57 120.2(4) . . ?
N17 C56 C57 124.1(4) . . ?
N7 C25 N8 116.2(3) . . ?
N7 C25 C24 120.7(4) . . ?
N8 C25 C24 123.0(4) . . ?
N21 C65 N20 115.8(3) . . ?
N21 C65 C64 119.0(4) . . ?
N20 C65 C64 125.1(4) . . ?
C12 C13 C14 120.1(5) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C57 C58 C59 120.3(5) . . ?
C57 C58 H58 119.8 . . ?
C59 C58 H58 119.8 . . ?
C21 N7 C25 118.3(3) . . ?
C21 N7 Ni1 120.9(3) . . ?
C25 N7 Ni1 120.7(2) . . ?
C54 C53 C52 119.5(5) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
N4 C15 N5 116.2(3) . . ?
N4 C15 C14 120.1(4) . . ?
N5 C15 C14 123.6(4) . . ?
N22 C75 N23 115.7(4) . . ?
N22 C75 C74 119.9(4) . . ?
N23 C75 C74 124.3(4) . . ?
C7 C8 C9 119.9(5) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C18 C17 C16 119.8(5) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C42 C43 C44 120.4(4) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
N9 C30 C29 124.3(4) . . ?
N9 C30 H30 117.8 . . ?
C29 C30 H30 117.8 . . ?
N3 C6 N2 116.0(4) . . ?
N3 C6 C7 119.9(4) . . ?
N2 C6 C7 123.9(4) . . ?
N4 C11 C12 123.8(5) . . ?
N4 C11 H11 118.1 . . ?
C12 C11 H11 118.1 . . ?
C11 N4 C15 118.2(4) . . ?
C11 N4 Ni1 121.3(3) . . ?
C15 N4 Ni1 120.5(3) . . ?
C28 C27 C26 120.0(5) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C71 N22 C75 118.4(4) . . ?
C71 N22 Ni6 119.7(3) . . ?
C75 N22 Ni6 121.8(3) . . ?
C1 N1 C5 119.0(3) . . ?
C1 N1 Ni1 118.9(3) . . ?
C5 N1 Ni1 121.8(3) . . ?
C20 C19 C18 118.7(4) . . ?
C20 C19 H19 120.7 . . ?
C18 C19 H19 120.7 . . ?
N13 C41 C42 124.2(4) . . ?
N13 C41 H41 117.9 . . ?
C42 C41 H41 117.9 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C29 C28 C27 119.5(5) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C63 C64 C65 120.7(4) . . ?
C63 C64 H64 119.7 . . ?
C65 C64 H64 119.7 . . ?
N13 C45 N14 115.6(3) . . ?
N13 C45 C44 120.9(4) . . ?
N14 C45 C44 123.2(4) . . ?
N15 C46 N14 116.5(3) . . ?
N15 C46 C47 120.0(4) . . ?
N14 C46 C47 123.5(4) . . ?
C60 C59 C58 117.8(5) . . ?
C60 C59 H59 121.1 . . ?
C58 C59 H59 121.1 . . ?
N22 C71 C72 123.6(4) . . ?
N22 C71 H71 118.2 . . ?
C72 C71 H71 118.2 . . ?
C40 N12 C36 118.8(3) . . ?
C40 N12 Ni3 119.9(3) . . ?
C36 N12 Ni3 121.2(3) . . ?
C43 C42 C41 117.7(4) . . ?
C43 C42 H42 121.1 . . ?
C41 C42 H42 121.1 . . ?
N18 C60 C59 124.1(4) . . ?
N18 C60 H60 117.9 . . ?
C59 C60 H60 117.9 . . ?
C30 C29 C28 117.9(5) . . ?
C30 C29 H29 121.1 . . ?
C28 C29 H29 121.1 . . ?
C43 C44 C45 118.9(4) . . ?
C43 C44 H44 120.6 . . ?
C45 C44 H44 120.6 . . ?
N1 C5 N2 115.7(3) . . ?
N1 C5 C4 120.3(4) . . ?
N2 C5 C4 123.6(4) . . ?
N21 C61 C62 123.3(4) . . ?
N21 C61 H61 118.3 . . ?
C62 C61 H61 118.3 . . ?
C3 C4 C5 119.6(4) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C41 N13 C45 117.8(4) . . ?
C41 N13 Ni6 119.3(3) . . ?
C45 N13 Ni6 122.3(3) . . ?
C51 C52 C53 118.8(5) . . ?
C51 C52 H52 120.6 . . ?
C53 C52 H52 120.6 . . ?
N15 C50 C49 122.9(5) . . ?
N15 C50 H50 118.5 . . ?
C49 C50 H50 118.5 . . ?
C13 C14 C15 119.5(5) . . ?
C13 C14 H14 120.3 . . ?
C15 C14 H14 120.3 . . ?
N6 C20 C19 123.2(5) . . ?
N6 C20 H20 118.4 . . ?
C19 C20 H20 118.4 . . ?
C61 C62 C63 118.5(4) . . ?
C61 C62 H62 120.8 . . ?
C63 C62 H62 120.8 . . ?
C58 C57 C56 119.4(5) . . ?
C58 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
N16 C55 N17 116.6(4) . . ?
N16 C55 C54 119.8(4) . . ?
N17 C55 C54 123.5(4) . . ?
C1 C2 C3 118.0(4) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 H2 121.0 . . ?
C10 C9 C8 117.9(5) . . ?
C10 C9 H9 121.1 . . ?
C8 C9 H9 121.1 . . ?
C48 C47 C46 119.5(5) . . ?
C48 C47 H47 120.3 . . ?
C46 C47 H47 120.3 . . ?
C53 C54 C55 119.9(5) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C73 C74 C75 120.2(4) . . ?
C73 C74 H74 119.9 . . ?
C75 C74 H74 119.9 . . ?
C8 C7 C6 120.0(5) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
N9 C26 N8 115.8(4) . . ?
N9 C26 C27 120.2(4) . . ?
N8 C26 C27 123.8(4) . . ?
N16 C51 C52 123.1(5) . . ?
N16 C51 H51 118.4 . . ?
C52 C51 H51 118.4 . . ?
C17 C18 C19 119.1(5) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C64 C63 C62 119.1(4) . . ?
C64 C63 H63 120.4 . . ?
C62 C63 H63 120.4 . . ?
C74 C73 C72 119.2(5) . . ?
C74 C73 H73 120.4 . . ?
C72 C73 H73 120.4 . . ?
N1 C1 C2 123.3(4) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
N3 C10 C9 123.8(5) . . ?
N3 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
C71 C72 C73 118.6(4) . . ?
C71 C72 H72 120.7 . . ?
C73 C72 H72 120.7 . . ?
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
O1 C81 1.267(5) . ?
O1 Ni1 2.019(3) . ?
O7 C89 1.254(5) . ?
O7 Ni3 2.015(3) . ?
N24 C80 1.335(5) . ?
N24 C76 1.359(5) . ?
N24 Ni4 2.108(3) . ?
C82 C83 1.392(6) . ?
C82 C87 1.393(6) . ?
C82 C81 1.533(6) . ?
O2 C81 1.232(5) . ?
C76 N23 1.379(5) . ?
C76 C77 1.405(6) . ?
C34 C33 1.379(6) . ?
C34 C35 1.404(6) . ?
C34 H34 0.9300 . ?
C66 N19 1.359(5) . ?
C66 N20 1.386(5) . ?
C66 C67 1.405(6) . ?
C40 N12 1.353(5) . ?
C40 C39 1.369(6) . ?
C40 H40 0.9300 . ?
C67 C68 1.355(6) . ?
C67 H67 0.9300 . ?
C36 N12 1.353(5) . ?
C36 N11 1.372(5) . ?
C36 C37 1.408(5) . ?
C70 N19 1.342(5) . ?
C70 C69 1.365(6) . ?
C70 H70 0.9300 . ?
C33 C32 1.381(7) . ?
C33 H33 0.9300 . ?
C37 C38 1.375(6) . ?
C37 H37 0.9300 . ?
C77 C78 1.367(6) . ?
C77 H77 0.9300 . ?
C31 N10 1.352(5) . ?
C31 C32 1.378(6) . ?
C31 H31 0.9300 . ?
C35 N10 1.352(5) . ?
C35 N11 1.385(5) . ?
O4 C88 1.234(5) . ?
O4 Ni4 2.021(3) . ?
O8 C89 1.231(5) . ?
C83 C84 1.393(6) . ?
C83 C88 1.523(6) . ?
C89 C90 1.531(6) . ?
O5 N25 1.204(5) . ?
C87 C86 1.377(6) . ?
C87 N25 1.487(5) . ?
C90 C95 1.399(6) . ?
C90 C91 1.401(5) . ?
N25 O6 1.201(5) . ?
C84 C85 1.385(6) . ?
C84 H84 0.9300 . ?
O3 C88 1.240(6) . ?
C39 C38 1.371(6) . ?
C39 H39 0.9300 . ?
C86 C85 1.374(6) . ?
C86 H86 0.9300 . ?
C24 C23 1.366(6) . ?
C24 C25 1.406(5) . ?
C24 H24 0.9300 . ?
C22 C21 1.370(6) . ?
C22 C23 1.377(7) . ?
C22 H22 0.9300 . ?
C38 H38 0.9300 . ?
C85 H85 0.9300 . ?
C21 N7 1.350(5) . ?
C21 H21 0.9300 . ?
C23 H23 0.9300 . ?
C12 C11 1.363(6) . ?
C12 C13 1.369(7) . ?
C12 H12 0.9300 . ?
N26 O11 1.207(5) . ?
N26 O12 1.220(5) . ?
N26 C92 1.471(5) . ?
C91 C92 1.394(6) . ?
C91 C96 1.535(5) . ?
C92 C93 1.381(6) . ?
C96 O10 1.227(5) . ?
C96 O9 1.270(5) . ?
C95 C94 1.371(6) . ?
C95 H95 0.9300 . ?
C93 C94 1.376(6) . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C68 C69 1.387(7) . ?
C68 H68 0.9300 . ?
C49 C50 1.371(6) . ?
C49 C48 1.380(7) . ?
C49 H49 0.9300 . ?
C80 C79 1.364(7) . ?
C80 H80 0.9300 . ?
C69 H69 0.9300 . ?
C78 C79 1.383(7) . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?
C32 H32 0.9300 . ?
O9 Ni6 2.039(3) 1_554 ?
Ni4 N21 2.060(3) . ?
Ni4 N15 2.081(3) . ?
Ni4 N18 2.117(3) . ?
Ni4 Ni5 2.4395(7) . ?
Ni3 N9 2.082(3) . ?
Ni3 N3 2.086(3) . ?
Ni3 N6 2.107(3) . ?
Ni3 N12 2.123(3) . ?
Ni3 Ni2 2.4213(7) . ?
Ni6 O9 2.039(3) 1_556 ?
Ni6 N16 2.076(4) . ?
Ni6 N22 2.096(3) . ?
Ni6 N13 2.112(3) . ?
Ni6 N19 2.119(3) . ?
Ni6 Ni5 2.4530(7) . ?
Ni5 N20 1.895(3) . ?
Ni5 N14 1.897(3) . ?
Ni5 N23 1.898(3) . ?
Ni5 N17 1.905(3) . ?
Ni2 N2 1.891(3) . ?
Ni2 N5 1.897(3) . ?
Ni2 N11 1.899(3) . ?
Ni2 N8 1.901(3) . ?
Ni2 Ni1 2.4360(7) . ?
Ni1 N7 2.065(3) . ?
Ni1 N4 2.089(3) . ?
Ni1 N1 2.099(3) . ?
Ni1 N10 2.119(3) . ?
N5 C16 1.369(5) . ?
N5 C15 1.374(5) . ?
N20 C65 1.369(5) . ?
N23 C75 1.384(5) . ?
N2 C5 1.377(5) . ?
N2 C6 1.381(5) . ?
N8 C26 1.379(5) . ?
N8 C25 1.388(5) . ?
N14 C46 1.374(5) . ?
N14 C45 1.388(5) . ?
N16 C51 1.354(5) . ?
N16 C55 1.364(5) . ?
N17 C55 1.375(5) . ?
N17 C56 1.380(5) . ?
N3 C10 1.336(5) . ?
N3 C6 1.361(5) . ?
N6 C16 1.346(5) . ?
N6 C20 1.349(5) . ?
C16 C17 1.406(6) . ?
N15 C50 1.351(5) . ?
N15 C46 1.353(5) . ?
N18 C60 1.347(5) . ?
N18 C56 1.359(5) . ?
N9 C30 1.349(5) . ?
N9 C26 1.355(5) . ?
C48 C47 1.371(6) . ?
C48 H48 0.9300 . ?
N21 C61 1.357(5) . ?
N21 C65 1.364(5) . ?
C56 C57 1.404(6) . ?
C25 N7 1.350(5) . ?
C65 C64 1.408(5) . ?
C13 C14 1.374(7) . ?
C13 H13 0.9300 . ?
C58 C57 1.367(7) . ?
C58 C59 1.378(7) . ?
C58 H58 0.9300 . ?
C53 C54 1.376(7) . ?
C53 C52 1.385(7) . ?
C53 H53 0.9300 . ?
C15 N4 1.365(5) . ?
C15 C14 1.404(6) . ?
C75 N22 1.359(5) . ?
C75 C74 1.402(6) . ?
C8 C7 1.361(7) . ?
C8 C9 1.380(7) . ?
C8 H8 0.9300 . ?
C17 C18 1.379(7) . ?
C17 H17 0.9300 . ?
C43 C42 1.360(7) . ?
C43 C44 1.372(6) . ?
C43 H43 0.9300 . ?
C30 C29 1.366(7) . ?
C30 H30 0.9300 . ?
C6 C7 1.406(6) . ?
C11 N4 1.347(5) . ?
C11 H11 0.9300 . ?
C27 C28 1.380(7) . ?
C27 C26 1.398(6) . ?
C27 H27 0.9300 . ?
N22 C71 1.350(5) . ?
N1 C1 1.342(5) . ?
N1 C5 1.350(5) . ?
C19 C20 1.366(6) . ?
C19 C18 1.382(7) . ?
C19 H19 0.9300 . ?
C41 N13 1.338(5) . ?
C41 C42 1.363(6) . ?
C41 H41 0.9300 . ?
C3 C4 1.369(6) . ?
C3 C2 1.382(7) . ?
C3 H3 0.9300 . ?
C28 C29 1.374(7) . ?
C28 H28 0.9300 . ?
C64 C63 1.374(6) . ?
C64 H64 0.9300 . ?
C45 N13 1.349(5) . ?
C45 C44 1.394(6) . ?
C46 C47 1.412(6) . ?
C59 C60 1.359(6) . ?
C59 H59 0.9300 . ?
C71 C72 1.363(6) . ?
C71 H71 0.9300 . ?
C42 H42 0.9300 . ?
C60 H60 0.9300 . ?
C29 H29 0.9300 . ?
C44 H44 0.9300 . ?
C5 C4 1.405(5) . ?
C61 C62 1.362(6) . ?
C61 H61 0.9300 . ?
C4 H4 0.9300 . ?
C52 C51 1.369(7) . ?
C52 H52 0.9300 . ?
C50 H50 0.9300 . ?
C14 H14 0.9300 . ?
C20 H20 0.9300 . ?
C62 C63 1.389(6) . ?
C62 H62 0.9300 . ?
C57 H57 0.9300 . ?
C55 C54 1.413(6) . ?
C2 C1 1.376(6) . ?
C2 H2 0.9300 . ?
C9 C10 1.373(7) . ?
C9 H9 0.9300 . ?
C47 H47 0.9300 . ?
C54 H54 0.9300 . ?
C74 C73 1.375(6) . ?
C74 H74 0.9300 . ?
C7 H7 0.9300 . ?
C51 H51 0.9300 . ?
C18 H18 0.9300 . ?
C63 H63 0.9300 . ?
C73 C72 1.377(7) . ?
C73 H73 0.9300 . ?
C1 H1 0.9300 . ?
C10 H10 0.9300 . ?
C72 H72 0.9300 . ?
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
C80 N24 C76 N23 -177.2(4) . . . . ?
Ni4 N24 C76 N23 1.1(5) . . . . ?
C80 N24 C76 C77 -1.7(6) . . . . ?
Ni4 N24 C76 C77 176.5(3) . . . . ?
Ni1 O1 C81 O2 3.7(7) . . . . ?
Ni1 O1 C81 C82 -178.6(2) . . . . ?
C83 C82 C81 O2 -85.1(5) . . . . ?
C87 C82 C81 O2 94.8(5) . . . . ?
C83 C82 C81 O1 97.0(5) . . . . ?
C87 C82 C81 O1 -83.2(5) . . . . ?
N19 C66 C67 C68 2.6(7) . . . . ?
N20 C66 C67 C68 176.9(4) . . . . ?
C35 C34 C33 C32 3.0(6) . . . . ?
N12 C36 C37 C38 4.6(6) . . . . ?
N11 C36 C37 C38 -167.8(4) . . . . ?
N24 C76 C77 C78 2.8(7) . . . . ?
N23 C76 C77 C78 177.9(5) . . . . ?
C33 C34 C35 N10 -4.4(6) . . . . ?
C33 C34 C35 N11 179.0(4) . . . . ?
C87 C82 C83 C84 -3.1(6) . . . . ?
C81 C82 C83 C84 176.8(4) . . . . ?
C87 C82 C83 C88 176.1(4) . . . . ?
C81 C82 C83 C88 -4.1(6) . . . . ?
Ni3 O7 C89 O8 1.1(8) . . . . ?
Ni3 O7 C89 C90 -176.7(3) . . . . ?
C83 C82 C87 C86 3.0(6) . . . . ?
C81 C82 C87 C86 -176.9(4) . . . . ?
C83 C82 C87 N25 -177.2(4) . . . . ?
C81 C82 C87 N25 3.0(6) . . . . ?
O8 C89 C90 C95 -145.5(4) . . . . ?
O7 C89 C90 C95 32.5(6) . . . . ?
O8 C89 C90 C91 30.6(6) . . . . ?
O7 C89 C90 C91 -151.4(4) . . . . ?
C86 C87 N25 O6 -25.3(6) . . . . ?
C82 C87 N25 O6 154.8(5) . . . . ?
C86 C87 N25 O5 154.3(4) . . . . ?
C82 C87 N25 O5 -25.5(6) . . . . ?
C82 C83 C84 C85 1.4(7) . . . . ?
C88 C83 C84 C85 -177.8(4) . . . . ?
N12 C40 C39 C38 0.3(7) . . . . ?
Ni4 O4 C88 O3 -14.7(9) . . . . ?
Ni4 O4 C88 C83 173.7(3) . . . . ?
C82 C83 C88 O4 -170.0(4) . . . . ?
C84 C83 C88 O4 9.2(7) . . . . ?
C82 C83 C88 O3 17.8(7) . . . . ?
C84 C83 C88 O3 -163.1(5) . . . . ?
C82 C87 C86 C85 -1.0(7) . . . . ?
N25 C87 C86 C85 179.1(4) . . . . ?
C40 C39 C38 C37 -3.3(7) . . . . ?
C36 C37 C38 C39 0.9(7) . . . . ?
C87 C86 C85 C84 -0.8(7) . . . . ?
C83 C84 C85 C86 0.6(7) . . . . ?
C23 C22 C21 N7 -1.7(8) . . . . ?
C25 C24 C23 C22 0.1(8) . . . . ?
C21 C22 C23 C24 1.0(8) . . . . ?
C95 C90 C91 C92 0.8(6) . . . . ?
C89 C90 C91 C92 -175.3(4) . . . . ?
C95 C90 C91 C96 176.1(4) . . . . ?
C89 C90 C91 C96 0.0(6) . . . . ?
C90 C91 C92 C93 2.3(6) . . . . ?
C96 C91 C92 C93 -173.1(4) . . . . ?
C90 C91 C92 N26 -175.5(4) . . . . ?
C96 C91 C92 N26 9.2(6) . . . . ?
O11 N26 C92 C93 -144.7(5) . . . . ?
O12 N26 C92 C93 30.8(6) . . . . ?
O11 N26 C92 C91 33.2(6) . . . . ?
O12 N26 C92 C91 -151.3(4) . . . . ?
C92 C91 C96 O10 69.8(5) . . . . ?
C90 C91 C96 O10 -105.2(5) . . . . ?
C92 C91 C96 O9 -108.2(4) . . . . ?
C90 C91 C96 O9 76.7(5) . . . . ?
C91 C90 C95 C94 -3.4(7) . . . . ?
C89 C90 C95 C94 172.8(4) . . . . ?
C91 C92 C93 C94 -2.9(7) . . . . ?
N26 C92 C93 C94 175.0(4) . . . . ?
C90 C95 C94 C93 2.8(7) . . . . ?
C92 C93 C94 C95 0.3(7) . . . . ?
C66 C67 C68 C69 -1.9(7) . . . . ?
C76 N24 C80 C79 -0.3(7) . . . . ?
Ni4 N24 C80 C79 -178.6(4) . . . . ?
N19 C70 C69 C68 1.9(8) . . . . ?
C67 C68 C69 C70 -0.3(8) . . . . ?
C76 C77 C78 C79 -1.8(8) . . . . ?
N24 C80 C79 C78 1.3(9) . . . . ?
C77 C78 C79 C80 -0.2(9) . . . . ?
N10 C31 C32 C33 -1.9(7) . . . . ?
C34 C33 C32 C31 0.0(7) . . . . ?
O10 C96 O9 Ni6 -10.3(7) . . . 1_554 ?
C91 C96 O9 Ni6 167.5(3) . . . 1_554 ?
C88 O4 Ni4 N21 73.3(5) . . . . ?
C88 O4 Ni4 N15 -105.8(5) . . . . ?
C88 O4 Ni4 N24 -16.9(5) . . . . ?
C88 O4 Ni4 N18 162.7(5) . . . . ?
C88 O4 Ni4 Ni5 176.8(4) . . . . ?
C80 N24 Ni4 O4 -19.6(4) . . . . ?
C76 N24 Ni4 O4 162.1(3) . . . . ?
C80 N24 Ni4 N21 -119.1(4) . . . . ?
C76 N24 Ni4 N21 62.7(3) . . . . ?
C80 N24 Ni4 N15 74.8(4) . . . . ?
C76 N24 Ni4 N15 -103.4(3) . . . . ?
C80 N24 Ni4 N18 161.6(4) . . . . ?
C76 N24 Ni4 N18 -16.6(6) . . . . ?
C80 N24 Ni4 Ni5 157.9(4) . . . . ?
C76 N24 Ni4 Ni5 -20.3(3) . . . . ?
C89 O7 Ni3 N9 -134.0(5) . . . . ?
C89 O7 Ni3 N3 48.0(5) . . . . ?
C89 O7 Ni3 N6 -41.6(5) . . . . ?
C89 O7 Ni3 N12 140.4(5) . . . . ?
O4 Ni4 Ni5 N20 -79.3(5) . . . . ?
N21 Ni4 Ni5 N20 25.73(14) . . . . ?
N15 Ni4 Ni5 N20 -157.75(14) . . . . ?
N24 Ni4 Ni5 N20 113.90(13) . . . . ?
N18 Ni4 Ni5 N20 -65.01(14) . . . . ?
O4 Ni4 Ni5 N14 101.5(5) . . . . ?
N21 Ni4 Ni5 N14 -153.49(14) . . . . ?
N15 Ni4 Ni5 N14 23.03(14) . . . . ?
N24 Ni4 Ni5 N14 -65.33(14) . . . . ?
N18 Ni4 Ni5 N14 115.76(14) . . . . ?
O4 Ni4 Ni5 N23 -168.7(5) . . . . ?
N21 Ni4 Ni5 N23 -63.72(13) . . . . ?
N15 Ni4 Ni5 N23 112.80(13) . . . . ?
N24 Ni4 Ni5 N23 24.44(13) . . . . ?
N18 Ni4 Ni5 N23 -154.46(13) . . . . ?
O4 Ni4 Ni5 N17 11.4(5) . . . . ?
N21 Ni4 Ni5 N17 116.47(13) . . . . ?
N15 Ni4 Ni5 N17 -67.01(14) . . . . ?
N24 Ni4 Ni5 N17 -155.37(13) . . . . ?
N18 Ni4 Ni5 N17 25.72(14) . . . . ?
N16 Ni6 Ni5 N20 113.58(14) . . . . ?
N22 Ni6 Ni5 N20 -66.95(13) . . . . ?
N13 Ni6 Ni5 N20 -154.99(14) . . . . ?
N19 Ni6 Ni5 N20 23.55(14) . . . . ?
N16 Ni6 Ni5 N14 -67.17(14) . . . . ?
N22 Ni6 Ni5 N14 112.30(14) . . . . ?
N13 Ni6 Ni5 N14 24.25(14) . . . . ?
N19 Ni6 Ni5 N14 -157.21(14) . . . . ?
N16 Ni6 Ni5 N23 -156.95(13) . . . . ?
N22 Ni6 Ni5 N23 22.52(13) . . . . ?
N13 Ni6 Ni5 N23 -65.53(14) . . . . ?
N19 Ni6 Ni5 N23 113.01(13) . . . . ?
N16 Ni6 Ni5 N17 22.85(14) . . . . ?
N22 Ni6 Ni5 N17 -157.68(13) . . . . ?
N13 Ni6 Ni5 N17 114.28(14) . . . . ?
N19 Ni6 Ni5 N17 -67.18(14) . . . . ?
N9 Ni3 Ni2 N2 156.17(14) . . . . ?
N3 Ni3 Ni2 N2 -23.88(13) . . . . ?
N6 Ni3 Ni2 N2 63.26(14) . . . . ?
N12 Ni3 Ni2 N2 -117.10(13) . . . . ?
N9 Ni3 Ni2 N5 66.44(14) . . . . ?
N3 Ni3 Ni2 N5 -113.62(14) . . . . ?
N6 Ni3 Ni2 N5 -26.48(14) . . . . ?
N12 Ni3 Ni2 N5 153.16(14) . . . . ?
N9 Ni3 Ni2 N11 -114.73(14) . . . . ?
N3 Ni3 Ni2 N11 65.22(13) . . . . ?
N6 Ni3 Ni2 N11 152.35(14) . . . . ?
N12 Ni3 Ni2 N11 -28.01(14) . . . . ?
N9 Ni3 Ni2 N8 -23.45(14) . . . . ?
N3 Ni3 Ni2 N8 156.49(13) . . . . ?
N6 Ni3 Ni2 N8 -116.37(14) . . . . ?
N12 Ni3 Ni2 N8 63.27(13) . . . . ?
C81 O1 Ni1 N7 38.7(4) . . . . ?
C81 O1 Ni1 N4 -53.2(4) . . . . ?
C81 O1 Ni1 N1 -142.3(4) . . . . ?
C81 O1 Ni1 N10 128.2(4) . . . . ?
N2 Ni2 Ni1 N7 155.31(14) . . . . ?
N5 Ni2 Ni1 N7 -114.94(14) . . . . ?
N11 Ni2 Ni1 N7 66.21(14) . . . . ?
N8 Ni2 Ni1 N7 -25.06(14) . . . . ?
N2 Ni2 Ni1 N4 -114.77(13) . . . . ?
N5 Ni2 Ni1 N4 -25.02(14) . . . . ?
N11 Ni2 Ni1 N4 156.13(14) . . . . ?
N8 Ni2 Ni1 N4 64.86(14) . . . . ?
N2 Ni2 Ni1 N1 -25.20(14) . . . . ?
N5 Ni2 Ni1 N1 64.55(14) . . . . ?
N11 Ni2 Ni1 N1 -114.29(14) . . . . ?
N8 Ni2 Ni1 N1 154.44(14) . . . . ?
N2 Ni2 Ni1 N10 65.47(13) . . . . ?
N5 Ni2 Ni1 N10 155.22(13) . . . . ?
N11 Ni2 Ni1 N10 -23.63(13) . . . . ?
N8 Ni2 Ni1 N10 -114.90(13) . . . . ?
N2 Ni2 N5 C16 -51.5(3) . . . . ?
N8 Ni2 N5 C16 128.8(3) . . . . ?
Ni3 Ni2 N5 C16 38.9(3) . . . . ?
Ni1 Ni2 N5 C16 -142.2(3) . . . . ?
N2 Ni2 N5 C15 125.9(3) . . . . ?
N8 Ni2 N5 C15 -53.8(3) . . . . ?
Ni3 Ni2 N5 C15 -143.6(3) . . . . ?
Ni1 Ni2 N5 C15 35.2(3) . . . . ?
N19 C66 N20 C65 -152.4(4) . . . . ?
C67 C66 N20 C65 33.0(6) . . . . ?
N19 C66 N20 Ni5 31.2(4) . . . . ?
C67 C66 N20 Ni5 -143.4(4) . . . . ?
N23 Ni5 N20 C65 56.2(3) . . . . ?
N17 Ni5 N20 C65 -124.6(3) . . . . ?
Ni4 Ni5 N20 C65 -34.1(3) . . . . ?
Ni6 Ni5 N20 C65 146.6(3) . . . . ?
N23 Ni5 N20 C66 -127.3(3) . . . . ?
N17 Ni5 N20 C66 51.9(3) . . . . ?
Ni4 Ni5 N20 C66 142.3(3) . . . . ?
Ni6 Ni5 N20 C66 -36.9(3) . . . . ?
N12 C36 N11 C35 160.5(3) . . . . ?
C37 C36 N11 C35 -26.8(6) . . . . ?
N12 C36 N11 Ni2 -22.8(4) . . . . ?
C37 C36 N11 Ni2 149.9(3) . . . . ?
N10 C35 N11 C36 149.4(4) . . . . ?
C34 C35 N11 C36 -33.8(5) . . . . ?
N10 C35 N11 Ni2 -27.3(4) . . . . ?
C34 C35 N11 Ni2 149.5(3) . . . . ?
N2 Ni2 N11 C36 127.7(3) . . . . ?
N8 Ni2 N11 C36 -52.7(3) . . . . ?
Ni3 Ni2 N11 C36 37.2(3) . . . . ?
Ni1 Ni2 N11 C36 -141.6(3) . . . . ?
N2 Ni2 N11 C35 -55.5(3) . . . . ?
N8 Ni2 N11 C35 124.2(3) . . . . ?
Ni3 Ni2 N11 C35 -145.9(3) . . . . ?
Ni1 Ni2 N11 C35 35.2(3) . . . . ?
C69 C70 N19 C66 -1.2(7) . . . . ?
C69 C70 N19 Ni6 -174.0(4) . . . . ?
N20 C66 N19 C70 -175.8(4) . . . . ?
C67 C66 N19 C70 -1.0(6) . . . . ?
N20 C66 N19 Ni6 -3.0(5) . . . . ?
C67 C66 N19 Ni6 171.7(3) . . . . ?
O9 Ni6 N19 C70 -29.0(3) 1_556 . . . ?
N16 Ni6 N19 C70 71.3(3) . . . . ?
N22 Ni6 N19 C70 -122.6(3) . . . . ?
N13 Ni6 N19 C70 160.1(4) . . . . ?
Ni5 Ni6 N19 C70 155.2(3) . . . . ?
O9 Ni6 N19 C66 158.5(3) 1_556 . . . ?
N16 Ni6 N19 C66 -101.2(3) . . . . ?
N22 Ni6 N19 C66 64.8(3) . . . . ?
N13 Ni6 N19 C66 -12.5(7) . . . . ?
Ni5 Ni6 N19 C66 -17.4(3) . . . . ?
N24 C76 N23 C75 -156.1(4) . . . . ?
C77 C76 N23 C75 28.6(6) . . . . ?
N24 C76 N23 Ni5 28.2(5) . . . . ?
C77 C76 N23 Ni5 -147.1(4) . . . . ?
N20 Ni5 N23 C76 -125.0(3) . . . . ?
N14 Ni5 N23 C76 53.6(3) . . . . ?
Ni4 Ni5 N23 C76 -36.2(3) . . . . ?
Ni6 Ni5 N23 C76 144.5(3) . . . . ?
N20 Ni5 N23 C75 59.3(3) . . . . ?
N14 Ni5 N23 C75 -122.1(3) . . . . ?
Ni4 Ni5 N23 C75 148.0(3) . . . . ?
Ni6 Ni5 N23 C75 -31.3(3) . . . . ?
N5 Ni2 N2 C5 -53.1(3) . . . . ?
N11 Ni2 N2 C5 127.5(3) . . . . ?
Ni3 Ni2 N2 C5 -141.7(3) . . . . ?
Ni1 Ni2 N2 C5 36.8(3) . . . . ?
N5 Ni2 N2 C6 122.0(3) . . . . ?
N11 Ni2 N2 C6 -57.4(3) . . . . ?
Ni3 Ni2 N2 C6 33.4(3) . . . . ?
Ni1 Ni2 N2 C6 -148.1(3) . . . . ?
N5 Ni2 N8 C26 -55.8(3) . . . . ?
N11 Ni2 N8 C26 123.6(3) . . . . ?
Ni3 Ni2 N8 C26 32.7(3) . . . . ?
Ni1 Ni2 N8 C26 -145.8(3) . . . . ?
N5 Ni2 N8 C25 126.6(3) . . . . ?
N11 Ni2 N8 C25 -54.0(3) . . . . ?
Ni3 Ni2 N8 C25 -144.9(3) . . . . ?
Ni1 Ni2 N8 C25 36.6(3) . . . . ?
N23 Ni5 N14 C46 -119.6(3) . . . . ?
N17 Ni5 N14 C46 61.2(3) . . . . ?
Ni4 Ni5 N14 C46 -29.3(3) . . . . ?
Ni6 Ni5 N14 C46 150.0(3) . . . . ?
N23 Ni5 N14 C45 52.0(3) . . . . ?
N17 Ni5 N14 C45 -127.2(3) . . . . ?
Ni4 Ni5 N14 C45 142.4(3) . . . . ?
Ni6 Ni5 N14 C45 -38.4(3) . . . . ?
O9 Ni6 N16 C51 -26.2(3) 1_556 . . . ?
N22 Ni6 N16 C51 157.6(5) . . . . ?
N13 Ni6 N16 C51 78.9(3) . . . . ?
N19 Ni6 N16 C51 -118.3(3) . . . . ?
Ni5 Ni6 N16 C51 159.8(3) . . . . ?
O9 Ni6 N16 C55 153.2(3) 1_556 . . . ?
N22 Ni6 N16 C55 -23.0(7) . . . . ?
N13 Ni6 N16 C55 -101.7(3) . . . . ?
N19 Ni6 N16 C55 61.1(3) . . . . ?
Ni5 Ni6 N16 C55 -20.8(3) . . . . ?
N20 Ni5 N17 C55 -122.8(3) . . . . ?
N14 Ni5 N17 C55 58.6(3) . . . . ?
Ni4 Ni5 N17 C55 148.5(3) . . . . ?
Ni6 Ni5 N17 C55 -32.2(3) . . . . ?
N20 Ni5 N17 C56 50.4(3) . . . . ?
N14 Ni5 N17 C56 -128.2(3) . . . . ?
Ni4 Ni5 N17 C56 -38.4(3) . . . . ?
Ni6 Ni5 N17 C56 140.9(3) . . . . ?
O7 Ni3 N3 C10 13.3(3) . . . . ?
N9 Ni3 N3 C10 -158.3(5) . . . . ?
N6 Ni3 N3 C10 118.3(3) . . . . ?
N12 Ni3 N3 C10 -78.9(3) . . . . ?
Ni2 Ni3 N3 C10 -158.5(3) . . . . ?
O7 Ni3 N3 C6 -166.5(3) . . . . ?
N9 Ni3 N3 C6 21.9(7) . . . . ?
N6 Ni3 N3 C6 -61.6(3) . . . . ?
N12 Ni3 N3 C6 101.2(3) . . . . ?
Ni2 Ni3 N3 C6 21.6(3) . . . . ?
O7 Ni3 N6 C16 -151.7(3) . . . . ?
N9 Ni3 N6 C16 -60.1(3) . . . . ?
N3 Ni3 N6 C16 105.7(3) . . . . ?
N12 Ni3 N6 C16 21.5(6) . . . . ?
Ni2 Ni3 N6 C16 22.7(3) . . . . ?
O7 Ni3 N6 C20 34.8(4) . . . . ?
N9 Ni3 N6 C20 126.4(4) . . . . ?
N3 Ni3 N6 C20 -67.8(4) . . . . ?
N12 Ni3 N6 C20 -152.1(4) . . . . ?
Ni2 Ni3 N6 C20 -150.9(3) . . . . ?
C20 N6 C16 N5 171.6(4) . . . . ?
Ni3 N6 C16 N5 -2.1(5) . . . . ?
C20 N6 C16 C17 -2.6(7) . . . . ?
Ni3 N6 C16 C17 -176.3(4) . . . . ?
C15 N5 C16 N6 152.8(4) . . . . ?
Ni2 N5 C16 N6 -29.9(5) . . . . ?
C15 N5 C16 C17 -33.2(7) . . . . ?
Ni2 N5 C16 C17 144.1(4) . . . . ?
O4 Ni4 N15 C50 -6.2(3) . . . . ?
N21 Ni4 N15 C50 177.1(4) . . . . ?
N24 Ni4 N15 C50 -114.3(3) . . . . ?
N18 Ni4 N15 C50 82.7(3) . . . . ?
Ni5 Ni4 N15 C50 163.5(3) . . . . ?
O4 Ni4 N15 C46 165.9(3) . . . . ?
N21 Ni4 N15 C46 -10.9(7) . . . . ?
N24 Ni4 N15 C46 57.8(3) . . . . ?
N18 Ni4 N15 C46 -105.3(3) . . . . ?
Ni5 Ni4 N15 C46 -24.4(3) . . . . ?
C32 C31 N10 C35 0.6(6) . . . . ?
C32 C31 N10 Ni1 -178.9(3) . . . . ?
N11 C35 N10 C31 179.4(3) . . . . ?
C34 C35 N10 C31 2.5(5) . . . . ?
N11 C35 N10 Ni1 -1.2(4) . . . . ?
C34 C35 N10 Ni1 -178.0(3) . . . . ?
O1 Ni1 N10 C31 13.4(3) . . . . ?
N7 Ni1 N10 C31 116.0(3) . . . . ?
N4 Ni1 N10 C31 -161.6(4) . . . . ?
N1 Ni1 N10 C31 -79.7(3) . . . . ?
Ni2 Ni1 N10 C31 -160.7(3) . . . . ?
O1 Ni1 N10 C35 -166.1(3) . . . . ?
N7 Ni1 N10 C35 -63.4(3) . . . . ?
N4 Ni1 N10 C35 18.9(6) . . . . ?
N1 Ni1 N10 C35 100.9(3) . . . . ?
Ni2 Ni1 N10 C35 19.8(3) . . . . ?
O4 Ni4 N18 C60 -30.7(3) . . . . ?
N21 Ni4 N18 C60 69.1(3) . . . . ?
N15 Ni4 N18 C60 -125.8(3) . . . . ?
N24 Ni4 N18 C60 148.1(4) . . . . ?
Ni5 Ni4 N18 C60 151.8(3) . . . . ?
O4 Ni4 N18 C56 156.0(3) . . . . ?
N21 Ni4 N18 C56 -104.1(3) . . . . ?
N15 Ni4 N18 C56 61.0(3) . . . . ?
N24 Ni4 N18 C56 -25.1(6) . . . . ?
Ni5 Ni4 N18 C56 -21.4(3) . . . . ?
O7 Ni3 N9 C30 27.2(3) . . . . ?
N3 Ni3 N9 C30 -160.9(5) . . . . ?
N6 Ni3 N9 C30 -78.2(3) . . . . ?
N12 Ni3 N9 C30 118.9(3) . . . . ?
Ni2 Ni3 N9 C30 -160.7(3) . . . . ?
O7 Ni3 N9 C26 -150.2(3) . . . . ?
N3 Ni3 N9 C26 21.6(7) . . . . ?
N6 Ni3 N9 C26 104.3(3) . . . . ?
N12 Ni3 N9 C26 -58.5(3) . . . . ?
Ni2 Ni3 N9 C26 21.8(3) . . . . ?
C50 C49 C48 C47 0.0(8) . . . . ?
O4 Ni4 N21 C61 -35.1(3) . . . . ?
N15 Ni4 N21 C61 141.6(5) . . . . ?
N24 Ni4 N21 C61 72.9(3) . . . . ?
N18 Ni4 N21 C61 -123.8(3) . . . . ?
Ni5 Ni4 N21 C61 155.1(3) . . . . ?
O4 Ni4 N21 C65 144.1(3) . . . . ?
N15 Ni4 N21 C65 -39.2(7) . . . . ?
N24 Ni4 N21 C65 -107.9(3) . . . . ?
N18 Ni4 N21 C65 55.5(3) . . . . ?
Ni5 Ni4 N21 C65 -25.7(3) . . . . ?
C60 N18 C56 N17 -172.4(4) . . . . ?
Ni4 N18 C56 N17 0.9(5) . . . . ?
C60 N18 C56 C57 1.0(6) . . . . ?
Ni4 N18 C56 C57 174.3(3) . . . . ?
C55 N17 C56 N18 -157.2(4) . . . . ?
Ni5 N17 C56 N18 29.7(4) . . . . ?
C55 N17 C56 C57 29.7(6) . . . . ?
Ni5 N17 C56 C57 -143.4(4) . . . . ?
C26 N8 C25 N7 153.4(4) . . . . ?
Ni2 N8 C25 N7 -29.0(4) . . . . ?
C26 N8 C25 C24 -30.3(6) . . . . ?
Ni2 N8 C25 C24 147.3(3) . . . . ?
C23 C24 C25 N7 -0.7(7) . . . . ?
C23 C24 C25 N8 -176.8(4) . . . . ?
C61 N21 C65 N20 -171.7(3) . . . . ?
Ni4 N21 C65 N20 9.1(5) . . . . ?
C61 N21 C65 C64 5.0(6) . . . . ?
Ni4 N21 C65 C64 -174.2(3) . . . . ?
C66 N20 C65 N21 -154.1(4) . . . . ?
Ni5 N20 C65 N21 22.2(5) . . . . ?
C66 N20 C65 C64 29.5(6) . . . . ?
Ni5 N20 C65 C64 -154.2(3) . . . . ?
C11 C12 C13 C14 -1.6(8) . . . . ?
C22 C21 N7 C25 1.2(7) . . . . ?
C22 C21 N7 Ni1 178.6(4) . . . . ?
N8 C25 N7 C21 176.5(4) . . . . ?
C24 C25 N7 C21 0.0(6) . . . . ?
N8 C25 N7 Ni1 -0.9(5) . . . . ?
C24 C25 N7 Ni1 -177.3(3) . . . . ?
O1 Ni1 N7 C21 18.1(4) . . . . ?
N4 Ni1 N7 C21 121.2(3) . . . . ?
N1 Ni1 N7 C21 -158.4(5) . . . . ?
N10 Ni1 N7 C21 -74.5(3) . . . . ?
Ni2 Ni1 N7 C21 -156.5(3) . . . . ?
O1 Ni1 N7 C25 -164.6(3) . . . . ?
N4 Ni1 N7 C25 -61.5(3) . . . . ?
N1 Ni1 N7 C25 18.9(7) . . . . ?
N10 Ni1 N7 C25 102.8(3) . . . . ?
Ni2 Ni1 N7 C25 20.8(3) . . . . ?
C16 N5 C15 N4 151.9(4) . . . . ?
Ni2 N5 C15 N4 -25.5(5) . . . . ?
C16 N5 C15 C14 -32.2(6) . . . . ?
Ni2 N5 C15 C14 150.4(4) . . . . ?
C76 N23 C75 N22 -153.9(4) . . . . ?
Ni5 N23 C75 N22 21.7(5) . . . . ?
C76 N23 C75 C74 29.7(6) . . . . ?
Ni5 N23 C75 C74 -154.7(3) . . . . ?
N6 C16 C17 C18 1.1(8) . . . . ?
N5 C16 C17 C18 -172.6(5) . . . . ?
C26 N9 C30 C29 0.3(7) . . . . ?
Ni3 N9 C30 C29 -177.2(4) . . . . ?
C10 N3 C6 N2 175.6(4) . . . . ?
Ni3 N3 C6 N2 -4.5(5) . . . . ?
C10 N3 C6 C7 -0.4(6) . . . . ?
Ni3 N3 C6 C7 179.5(3) . . . . ?
C5 N2 C6 N3 150.8(4) . . . . ?
Ni2 N2 C6 N3 -24.0(5) . . . . ?
C5 N2 C6 C7 -33.3(6) . . . . ?
Ni2 N2 C6 C7 151.8(3) . . . . ?
C13 C12 C11 N4 -0.5(8) . . . . ?
C12 C11 N4 C15 2.2(7) . . . . ?
C12 C11 N4 Ni1 -179.1(4) . . . . ?
N5 C15 N4 C11 174.2(4) . . . . ?
C14 C15 N4 C11 -1.9(6) . . . . ?
N5 C15 N4 Ni1 -4.5(5) . . . . ?
C14 C15 N4 Ni1 179.4(3) . . . . ?
O1 Ni1 N4 C11 29.9(3) . . . . ?
N7 Ni1 N4 C11 -72.9(3) . . . . ?
N1 Ni1 N4 C11 122.7(3) . . . . ?
N10 Ni1 N4 C11 -155.2(4) . . . . ?
Ni2 Ni1 N4 C11 -156.1(3) . . . . ?
O1 Ni1 N4 C15 -151.4(3) . . . . ?
N7 Ni1 N4 C15 105.8(3) . . . . ?
N1 Ni1 N4 C15 -58.6(3) . . . . ?
N10 Ni1 N4 C15 23.5(7) . . . . ?
Ni2 Ni1 N4 C15 22.6(3) . . . . ?
N23 C75 N22 C71 -178.0(3) . . . . ?
C74 C75 N22 C71 -1.4(6) . . . . ?
N23 C75 N22 Ni6 5.8(5) . . . . ?
C74 C75 N22 Ni6 -177.6(3) . . . . ?
O9 Ni6 N22 C71 -11.6(3) 1_556 . . . ?
N16 Ni6 N22 C71 164.6(5) . . . . ?
N13 Ni6 N22 C71 -116.2(3) . . . . ?
N19 Ni6 N22 C71 80.6(3) . . . . ?
Ni5 Ni6 N22 C71 162.5(3) . . . . ?
O9 Ni6 N22 C75 164.5(3) 1_556 . . . ?
N16 Ni6 N22 C75 -19.2(7) . . . . ?
N13 Ni6 N22 C75 60.0(3) . . . . ?
N19 Ni6 N22 C75 -103.2(3) . . . . ?
Ni5 Ni6 N22 C75 -21.4(3) . . . . ?
O1 Ni1 N1 C1 32.5(3) . . . . ?
N7 Ni1 N1 C1 -151.0(4) . . . . ?
N4 Ni1 N1 C1 -70.4(3) . . . . ?
N10 Ni1 N1 C1 125.3(3) . . . . ?
Ni2 Ni1 N1 C1 -152.8(3) . . . . ?
O1 Ni1 N1 C5 -153.2(3) . . . . ?
N7 Ni1 N1 C5 23.3(7) . . . . ?
N4 Ni1 N1 C5 103.9(3) . . . . ?
N10 Ni1 N1 C5 -60.4(3) . . . . ?
Ni2 Ni1 N1 C5 21.5(3) . . . . ?
C26 C27 C28 C29 1.2(8) . . . . ?
N21 C65 C64 C63 -1.3(6) . . . . ?
N20 C65 C64 C63 175.0(4) . . . . ?
C46 N14 C45 N13 -155.4(4) . . . . ?
Ni5 N14 C45 N13 33.1(5) . . . . ?
C46 N14 C45 C44 31.2(6) . . . . ?
Ni5 N14 C45 C44 -140.3(4) . . . . ?
C50 N15 C46 N14 -177.0(4) . . . . ?
Ni4 N15 C46 N14 10.8(5) . . . . ?
C50 N15 C46 C47 0.7(6) . . . . ?
Ni4 N15 C46 C47 -171.4(3) . . . . ?
C45 N14 C46 N15 -153.9(4) . . . . ?
Ni5 N14 C46 N15 17.3(5) . . . . ?
C45 N14 C46 C47 28.4(6) . . . . ?
Ni5 N14 C46 C47 -160.4(3) . . . . ?
C57 C58 C59 C60 1.3(8) . . . . ?
C75 N22 C71 C72 -1.4(6) . . . . ?
Ni6 N22 C71 C72 174.9(3) . . . . ?
C39 C40 N12 C36 5.1(6) . . . . ?
C39 C40 N12 Ni3 -178.5(3) . . . . ?
N11 C36 N12 C40 165.7(3) . . . . ?
C37 C36 N12 C40 -7.4(6) . . . . ?
N11 C36 N12 Ni3 -10.6(4) . . . . ?
C37 C36 N12 Ni3 176.2(3) . . . . ?
O7 Ni3 N12 C40 26.9(3) . . . . ?
N9 Ni3 N12 C40 -64.1(3) . . . . ?
N3 Ni3 N12 C40 130.0(3) . . . . ?
N6 Ni3 N12 C40 -146.6(4) . . . . ?
Ni2 Ni3 N12 C40 -147.8(3) . . . . ?
O7 Ni3 N12 C36 -156.8(3) . . . . ?
N9 Ni3 N12 C36 112.3(3) . . . . ?
N3 Ni3 N12 C36 -53.7(3) . . . . ?
N6 Ni3 N12 C36 29.7(6) . . . . ?
Ni2 Ni3 N12 C36 28.5(3) . . . . ?
C44 C43 C42 C41 -1.9(8) . . . . ?
N13 C41 C42 C43 2.4(8) . . . . ?
C56 N18 C60 C59 -0.3(7) . . . . ?
Ni4 N18 C60 C59 -173.7(4) . . . . ?
C58 C59 C60 N18 -0.8(8) . . . . ?
N9 C30 C29 C28 -1.1(8) . . . . ?
C27 C28 C29 C30 0.3(8) . . . . ?
C42 C43 C44 C45 -0.3(8) . . . . ?
N13 C45 C44 C43 2.3(7) . . . . ?
N14 C45 C44 C43 175.3(4) . . . . ?
C1 N1 C5 N2 172.3(4) . . . . ?
Ni1 N1 C5 N2 -2.0(5) . . . . ?
C1 N1 C5 C4 -0.7(6) . . . . ?
Ni1 N1 C5 C4 -175.0(3) . . . . ?
C6 N2 C5 N1 157.1(4) . . . . ?
Ni2 N2 C5 N1 -28.0(5) . . . . ?
C6 N2 C5 C4 -30.2(6) . . . . ?
Ni2 N2 C5 C4 144.7(4) . . . . ?
C65 N21 C61 C62 -4.3(6) . . . . ?
Ni4 N21 C61 C62 174.9(3) . . . . ?
C2 C3 C4 C5 1.2(8) . . . . ?
N1 C5 C4 C3 -0.3(7) . . . . ?
N2 C5 C4 C3 -172.7(4) . . . . ?
C42 C41 N13 C45 -0.5(7) . . . . ?
C42 C41 N13 Ni6 -171.8(4) . . . . ?
N14 C45 N13 C41 -175.4(4) . . . . ?
C44 C45 N13 C41 -1.9(6) . . . . ?
N14 C45 N13 Ni6 -4.4(5) . . . . ?
C44 C45 N13 Ni6 169.1(3) . . . . ?
O9 Ni6 N13 C41 -22.0(4) 1_556 . . . ?
N16 Ni6 N13 C41 -122.8(3) . . . . ?
N22 Ni6 N13 C41 71.0(3) . . . . ?
N19 Ni6 N13 C41 148.7(4) . . . . ?
Ni5 Ni6 N13 C41 153.6(3) . . . . ?
O9 Ni6 N13 C45 167.2(3) 1_556 . . . ?
N16 Ni6 N13 C45 66.4(3) . . . . ?
N22 Ni6 N13 C45 -99.8(3) . . . . ?
N19 Ni6 N13 C45 -22.2(7) . . . . ?
Ni5 Ni6 N13 C45 -17.3(3) . . . . ?
C54 C53 C52 C51 0.3(7) . . . . ?
C46 N15 C50 C49 -2.8(7) . . . . ?
Ni4 N15 C50 C49 169.4(4) . . . . ?
C48 C49 C50 N15 2.4(7) . . . . ?
C12 C13 C14 C15 1.9(8) . . . . ?
N4 C15 C14 C13 -0.1(7) . . . . ?
N5 C15 C14 C13 -175.9(5) . . . . ?
C16 N6 C20 C19 2.5(7) . . . . ?
Ni3 N6 C20 C19 176.0(4) . . . . ?
C18 C19 C20 N6 -0.8(8) . . . . ?
N21 C61 C62 C63 -0.3(7) . . . . ?
C59 C58 C57 C56 -0.6(8) . . . . ?
N18 C56 C57 C58 -0.6(7) . . . . ?
N17 C56 C57 C58 172.2(4) . . . . ?
C51 N16 C55 N17 -176.2(4) . . . . ?
Ni6 N16 C55 N17 4.3(5) . . . . ?
C51 N16 C55 C54 0.5(6) . . . . ?
Ni6 N16 C55 C54 -179.0(3) . . . . ?
C56 N17 C55 N16 -149.2(4) . . . . ?
Ni5 N17 C55 N16 23.7(4) . . . . ?
C56 N17 C55 C54 34.2(6) . . . . ?
Ni5 N17 C55 C54 -152.9(3) . . . . ?
C4 C3 C2 C1 -1.0(8) . . . . ?
C7 C8 C9 C10 1.1(8) . . . . ?
C49 C48 C47 C46 -1.9(7) . . . . ?
N15 C46 C47 C48 1.6(7) . . . . ?
N14 C46 C47 C48 179.2(4) . . . . ?
C52 C53 C54 C55 -1.4(7) . . . . ?
N16 C55 C54 C53 1.0(6) . . . . ?
N17 C55 C54 C53 177.5(4) . . . . ?
N22 C75 C74 C73 3.4(6) . . . . ?
N23 C75 C74 C73 179.6(4) . . . . ?
C9 C8 C7 C6 -1.2(8) . . . . ?
N3 C6 C7 C8 0.8(7) . . . . ?
N2 C6 C7 C8 -174.8(4) . . . . ?
C30 N9 C26 N8 177.3(4) . . . . ?
Ni3 N9 C26 N8 -5.2(5) . . . . ?
C30 N9 C26 C27 1.3(6) . . . . ?
Ni3 N9 C26 C27 178.8(3) . . . . ?
C25 N8 C26 N9 154.4(4) . . . . ?
Ni2 N8 C26 N9 -23.1(5) . . . . ?
C25 N8 C26 C27 -29.8(6) . . . . ?
Ni2 N8 C26 C27 152.7(4) . . . . ?
C28 C27 C26 N9 -2.1(7) . . . . ?
C28 C27 C26 N8 -177.7(4) . . . . ?
C55 N16 C51 C52 -1.7(7) . . . . ?
Ni6 N16 C51 C52 177.8(4) . . . . ?
C53 C52 C51 N16 1.3(7) . . . . ?
C16 C17 C18 C19 0.6(9) . . . . ?
C20 C19 C18 C17 -0.7(9) . . . . ?
C65 C64 C63 C62 -3.2(7) . . . . ?
C61 C62 C63 C64 4.0(7) . . . . ?
C75 C74 C73 C72 -2.5(7) . . . . ?
C5 N1 C1 C2 0.9(7) . . . . ?
Ni1 N1 C1 C2 175.4(4) . . . . ?
C3 C2 C1 N1 -0.1(8) . . . . ?
C6 N3 C10 C9 0.4(7) . . . . ?
Ni3 N3 C10 C9 -179.5(4) . . . . ?
C8 C9 C10 N3 -0.7(8) . . . . ?
N22 C71 C72 C73 2.3(7) . . . . ?
C74 C73 C72 C71 -0.3(7) . . . . ?
