#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:13:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180382 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/51/7205180.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_7205180
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_moiety         'C56 H42 N12 Ni3 O8, C Cl2, O'
_chemical_formula_sum            'C57 H46 Cl2 N12 Ni3 O9'
_chemical_formula_weight         1290.09
_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                101.895(4)
_cell_angle_beta                 102.698(4)
_cell_angle_gamma                101.016(4)
_cell_formula_units_Z            2
_cell_length_a                   11.9829(13)
_cell_length_b                   13.6251(15)
_cell_length_c                   18.421(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2781.6(5)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0346
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15531
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.17
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.170
_exptl_absorpt_correction_T_max  0.8082
_exptl_absorpt_correction_T_min  0.7828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         9751
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.947
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0515
_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)+(0.0984P)²+2.7537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1393
_refine_ls_wR_factor_ref         0.1686
_reflns_number_gt                6452
_reflns_number_total             9751
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            C0CE00166J.TXT
_cod_data_source_block           comp-1
_cod_original_cell_volume        2781.7(5)
_cod_database_code               7205180
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
Ni2 Ni 0.81465(5) 0.53347(4) 0.24997(3) 0.03345(16) Uani 1 1 d . . .
Ni1 Ni 0.97627(5) 0.65016(4) 0.22941(3) 0.03858(17) Uani 1 1 d . . .
Ni3 Ni 0.65184(5) 0.41791(4) 0.27063(3) 0.03798(17) Uani 1 1 d . . .
C41 C 1.1696(5) 0.7895(4) 0.1928(3) 0.0624(15) Uani 1 1 d D . .
O5 O 0.5062(3) 0.3191(3) 0.2776(2) 0.0528(8) Uani 1 1 d . . .
O1 O 1.1229(3) 0.7546(3) 0.2309(3) 0.0646(10) Uani 1 1 d . . .
N5 N 0.7379(3) 0.6427(3) 0.2653(2) 0.0381(8) Uani 1 1 d . . .
N12 N 0.7795(3) 0.3350(3) 0.2980(2) 0.0414(9) Uani 1 1 d . . .
N1 N 1.0681(3) 0.6181(3) 0.3281(2) 0.0431(9) Uani 1 1 d . . .
N2 N 0.8910(3) 0.5704(3) 0.3577(2) 0.0388(8) Uani 1 1 d . . .
N11 N 0.8908(3) 0.4247(3) 0.2337(2) 0.0367(8) Uani 1 1 d . . .
N4 N 0.9187(3) 0.7612(3) 0.2993(2) 0.0446(9) Uani 1 1 d . . .
N8 N 0.7392(3) 0.4974(3) 0.1429(2) 0.0361(8) Uani 1 1 d . . .
N10 N 0.9970(3) 0.5118(3) 0.1652(2) 0.0389(8) Uani 1 1 d . . .
N6 N 0.5583(3) 0.5234(3) 0.2356(2) 0.0400(9) Uani 1 1 d . . .
O6 O 0.5348(4) 0.2998(4) 0.3965(3) 0.0828(13) Uani 1 1 d . . .
N7 N 0.8469(3) 0.6531(3) 0.1339(2) 0.0401(9) Uani 1 1 d . . .
N3 N 0.7087(3) 0.5210(3) 0.3797(2) 0.0431(9) Uani 1 1 d . . .
N9 N 0.6259(3) 0.3456(3) 0.1540(2) 0.0388(8) Uani 1 1 d . . .
C35 C 0.9521(4) 0.4196(3) 0.1778(2) 0.0375(10) Uani 1 1 d . . .
O2 O 1.1358(5) 0.7670(4) 0.1204(3) 0.1135(19) Uani 1 1 d . . .
C15 C 0.8063(4) 0.7414(3) 0.3051(3) 0.0417(11) Uani 1 1 d . . .
C30 C 0.5654(4) 0.2454(4) 0.1242(3) 0.0506(12) Uani 1 1 d . . .
H30 H 0.5347 0.2101 0.1564 0.061 Uiso 1 1 calc R . .
C6 C 0.8212(4) 0.5810(3) 0.4072(3) 0.0420(11) Uani 1 1 d . . .
C16 C 0.6172(4) 0.6209(3) 0.2403(3) 0.0411(10) Uani 1 1 d . . .
C34 C 0.9612(5) 0.3275(4) 0.1322(3) 0.0517(12) Uani 1 1 d . . .
H34 H 0.9299 0.2645 0.1410 0.062 Uiso 1 1 calc R . .
C17 C 0.5552(5) 0.6899(4) 0.2149(3) 0.0565(13) Uani 1 1 d . . .
H17 H 0.5958 0.7560 0.2163 0.068 Uiso 1 1 calc R . .
C21 C 0.8552(4) 0.7334(4) 0.1020(3) 0.0490(12) Uani 1 1 d . . .
H21 H 0.9205 0.7894 0.1243 0.059 Uiso 1 1 calc R . .
C45 C 1.5214(8) 0.9850(7) 0.3129(8) 0.134(4) Uani 1 1 d . . .
H45 H 1.5976 1.0238 0.3393 0.160 Uiso 1 1 calc R . .
C26 C 0.6724(4) 0.3965(3) 0.1072(3) 0.0403(10) Uani 1 1 d . . .
C32 C 1.0624(4) 0.4233(4) 0.0619(3) 0.0519(12) Uani 1 1 d . . .
H32 H 1.1011 0.4265 0.0236 0.062 Uiso 1 1 calc R . .
C31 C 1.0499(4) 0.5119(4) 0.1075(3) 0.0453(11) Uani 1 1 d . . .
H31 H 1.0793 0.5750 0.0981 0.054 Uiso 1 1 calc R . .
C36 C 0.8771(4) 0.3491(3) 0.2727(2) 0.0382(10) Uani 1 1 d . . .
C37 C 0.9620(4) 0.2930(4) 0.2908(3) 0.0519(12) Uani 1 1 d . . .
H37 H 1.0309 0.3050 0.2751 0.062 Uiso 1 1 calc R . .
C24 C 0.6652(4) 0.5716(4) 0.0363(3) 0.0513(12) Uani 1 1 d . . .
H24 H 0.6008 0.5149 0.0134 0.062 Uiso 1 1 calc R . .
C25 C 0.7500(4) 0.5716(3) 0.1027(3) 0.0391(10) Uani 1 1 d . . .
C28 C 0.5955(5) 0.2450(4) 0.0018(3) 0.0623(14) Uani 1 1 d . . .
H28 H 0.5849 0.2115 -0.0495 0.075 Uiso 1 1 calc R . .
C50 C 0.3521(6) 0.2046(5) 0.3009(5) 0.0720(18) Uani 1 1 d . . .
C20 C 0.4399(4) 0.4957(4) 0.2075(3) 0.0554(13) Uani 1 1 d . . .
H20 H 0.4000 0.4284 0.2035 0.066 Uiso 1 1 calc R . .
C27 C 0.6591(4) 0.3449(4) 0.0308(3) 0.0510(12) Uani 1 1 d . . .
H27 H 0.6940 0.3792 -0.0004 0.061 Uiso 1 1 calc R . .
C4 C 1.0803(4) 0.5890(4) 0.4523(3) 0.0517(12) Uani 1 1 d . . .
H4 H 1.0436 0.5762 0.4901 0.062 Uiso 1 1 calc R . .
C9 C 0.6591(5) 0.6039(5) 0.4920(3) 0.0653(15) Uani 1 1 d . . .
H9 H 0.6032 0.6102 0.5195 0.078 Uiso 1 1 calc R . .
C39 C 0.8426(5) 0.2065(4) 0.3570(3) 0.0549(13) Uani 1 1 d . . .
H39 H 0.8285 0.1584 0.3852 0.066 Uiso 1 1 calc R . .
C38 C 0.9431(5) 0.2208(4) 0.3313(3) 0.0582(14) Uani 1 1 d . . .
H38 H 0.9974 0.1816 0.3415 0.070 Uiso 1 1 calc R . .
C5 C 1.0128(4) 0.5945(3) 0.3815(3) 0.0417(10) Uani 1 1 d . . .
C40 C 0.7645(5) 0.2648(4) 0.3399(3) 0.0499(12) Uani 1 1 d . . .
H40 H 0.6975 0.2560 0.3578 0.060 Uiso 1 1 calc R . .
C7 C 0.8553(5) 0.6527(4) 0.4791(3) 0.0556(13) Uani 1 1 d . . .
H7 H 0.9323 0.6933 0.4983 0.067 Uiso 1 1 calc R . .
C3 C 1.1999(5) 0.6021(4) 0.4662(3) 0.0600(14) Uani 1 1 d . . .
H3 H 1.2447 0.5993 0.5135 0.072 Uiso 1 1 calc R . .
C14 C 0.7678(5) 0.8133(4) 0.3530(3) 0.0559(13) Uani 1 1 d . . .
H14 H 0.6902 0.7987 0.3561 0.067 Uiso 1 1 calc R . .
C42 C 1.2927(5) 0.8675(4) 0.2288(4) 0.0687(17) Uani 1 1 d D . .
C23 C 0.6775(5) 0.6553(5) 0.0054(3) 0.0603(14) Uani 1 1 d . . .
H23 H 0.6207 0.6556 -0.0380 0.072 Uiso 1 1 calc R . .
C19 C 0.3760(5) 0.5618(5) 0.1845(3) 0.0669(16) Uani 1 1 d . . .
H19 H 0.2941 0.5406 0.1669 0.080 Uiso 1 1 calc R . .
C10 C 0.6302(4) 0.5360(4) 0.4213(3) 0.0537(13) Uani 1 1 d . . .
H10 H 0.5522 0.4979 0.4004 0.064 Uiso 1 1 calc R . .
C11 C 0.9931(5) 0.8526(4) 0.3429(3) 0.0589(14) Uani 1 1 d . . .
H11 H 1.0709 0.8662 0.3402 0.071 Uiso 1 1 calc R . .
C49 C 0.4745(5) 0.2799(4) 0.3288(4) 0.0615(15) Uani 1 1 d . . .
C44 C 1.4724(9) 0.9921(7) 0.2386(8) 0.122(4) Uani 1 1 d . . .
H44 H 1.5161 1.0365 0.2171 0.147 Uiso 1 1 calc R . .
C29 C 0.5470(5) 0.1935(4) 0.0488(3) 0.0620(15) Uani 1 1 d . . .
H29 H 0.5028 0.1252 0.0298 0.074 Uiso 1 1 calc R . .
C13 C 0.8454(6) 0.9064(4) 0.3958(4) 0.0708(16) Uani 1 1 d . . .
H13 H 0.8205 0.9550 0.4277 0.085 Uiso 1 1 calc R . .
C1 C 1.1860(4) 0.6281(4) 0.3425(3) 0.0532(13) Uani 1 1 d . . .
H1 H 1.2225 0.6413 0.3047 0.064 Uiso 1 1 calc R . .
C22 C 0.7732(5) 0.7382(4) 0.0383(3) 0.0592(14) Uani 1 1 d . . .
H22 H 0.7825 0.7957 0.0184 0.071 Uiso 1 1 calc R . .
C12 C 0.9599(5) 0.9261(4) 0.3907(3) 0.0680(16) Uani 1 1 d . . .
H12 H 1.0138 0.9881 0.4191 0.082 Uiso 1 1 calc R . .
C8 C 0.7743(6) 0.6634(5) 0.5219(3) 0.0702(16) Uani 1 1 d . . .
H8 H 0.7972 0.7101 0.5702 0.084 Uiso 1 1 calc R . .
C18 C 0.4345(5) 0.6603(5) 0.1879(3) 0.0655(15) Uani 1 1 d . . .
H18 H 0.3926 0.7065 0.1721 0.079 Uiso 1 1 calc R . .
C33 C 1.0160(5) 0.3297(4) 0.0746(3) 0.0572(13) Uani 1 1 d . . .
H33 H 1.0219 0.2684 0.0441 0.069 Uiso 1 1 calc R . .
C2 C 1.2535(5) 0.6197(5) 0.4094(3) 0.0645(15) Uani 1 1 d . . .
H2 H 1.3341 0.6256 0.4168 0.077 Uiso 1 1 calc R . .
C43 C 1.3610(6) 0.9348(5) 0.1966(5) 0.085(2) Uani 1 1 d . . .
C52 C 0.1890(12) 0.0784(9) 0.3063(10) 0.160(8) Uani 1 1 d . . .
H52 H 0.1546 0.0357 0.3330 0.192 Uiso 1 1 calc R . .
C47 C 1.3451(6) 0.8648(5) 0.3055(5) 0.087(2) Uani 1 1 d . . .
H47 H 1.3007 0.8229 0.3282 0.104 Uiso 1 1 calc R . .
O3 O 1.2264(7) 0.9013(6) 0.0676(4) 0.148(3) Uani 1 1 d . . .
H3A H 1.1922 0.8570 0.0848 0.222 Uiso 1 1 calc R . .
C51 C 0.3009(8) 0.1406(5) 0.3421(6) 0.108(3) Uani 1 1 d . . .
C53 C 0.1282(11) 0.0755(10) 0.2377(11) 0.185(10) Uani 1 1 d . . .
H53 H 0.0536 0.0306 0.2168 0.222 Uiso 1 1 calc R . .
O4 O 1.3884(9) 1.0228(5) 0.1029(5) 0.203(4) Uani 1 1 d . . .
C46 C 1.4584(6) 0.9209(6) 0.3486(6) 0.109(3) Uani 1 1 d . . .
H46 H 1.4905 0.9161 0.3982 0.131 Uiso 1 1 calc R . .
C54 C 0.1739(7) 0.1395(6) 0.1948(8) 0.153(5) Uani 1 1 d . . .
H54 H 0.1305 0.1401 0.1465 0.183 Uiso 1 1 calc R . .
C48 C 1.3251(10) 0.9565(6) 0.1200(7) 0.120(4) Uani 1 1 d . . .
O7 O 0.4537(9) 0.1772(7) 0.4607(5) 0.158(4) Uani 1 1 d . . .
H7A H 0.4832 0.2124 0.4355 0.238 Uiso 1 1 calc R . .
C55 C 0.2877(6) 0.2017(5) 0.2286(6) 0.100(3) Uani 1 1 d . . .
H55 H 0.3216 0.2433 0.2010 0.120 Uiso 1 1 calc R . .
C56 C 0.3518(16) 0.1278(9) 0.4230(11) 0.165(8) Uani 1 1 d . . .
O8 O 0.2865(10) 0.0649(6) 0.4431(6) 0.227(5) Uani 1 1 d . . .
O1W O 0.2746(8) 0.8926(6) 0.5027(5) 0.185(3) Uani 1 1 d . . .
Cl1 Cl 0.7613(8) 0.9569(5) 0.2003(6) 0.258(4) Uani 0.68 1 d P . .
Cl2 Cl 0.7722(9) 1.0288(7) 0.0838(6) 0.273(4) Uani 0.66 1 d P . .
C57 C 0.7276(15) 1.0149(15) 0.1526(7) 0.201(8) Uani 1 1 d . . .
Cl3 Cl 0.8937(8) 1.0156(6) 0.0779(8) 0.357(8) Uani 0.66 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N11 Ni2 N8 89.59(15) . . ?
N11 Ni2 N5 179.46(15) . . ?
N8 Ni2 N5 89.90(15) . . ?
N11 Ni2 N2 90.56(15) . . ?
N8 Ni2 N2 179.70(16) . . ?
N5 Ni2 N2 89.96(15) . . ?
N11 Ni2 Ni1 90.23(10) . . ?
N8 Ni2 Ni1 89.44(10) . . ?
N5 Ni2 Ni1 89.59(11) . . ?
N2 Ni2 Ni1 90.30(10) . . ?
N11 Ni2 Ni3 90.31(10) . . ?
N8 Ni2 Ni3 90.52(10) . . ?
N5 Ni2 Ni3 89.87(11) . . ?
N2 Ni2 Ni3 89.75(10) . . ?
Ni1 Ni2 Ni3 179.46(3) . . ?
O1 Ni1 N1 90.42(16) . . ?
O1 Ni1 N7 105.07(16) . . ?
N1 Ni1 N7 164.50(14) . . ?
O1 Ni1 N10 102.20(15) . . ?
N1 Ni1 N10 88.04(14) . . ?
N7 Ni1 N10 88.93(14) . . ?
O1 Ni1 N4 92.98(15) . . ?
N1 Ni1 N4 89.26(15) . . ?
N7 Ni1 N4 89.64(15) . . ?
N10 Ni1 N4 164.60(14) . . ?
O1 Ni1 Ni2 170.73(13) . . ?
N1 Ni1 Ni2 81.56(10) . . ?
N7 Ni1 Ni2 82.97(10) . . ?
N10 Ni1 Ni2 82.28(9) . . ?
N4 Ni1 Ni2 82.33(10) . . ?
O5 Ni3 N3 102.32(14) . . ?
O5 Ni3 N9 92.72(14) . . ?
N3 Ni3 N9 164.45(14) . . ?
O5 Ni3 N6 94.08(14) . . ?
N3 Ni3 N6 86.64(15) . . ?
N9 Ni3 N6 88.39(14) . . ?
O5 Ni3 N12 100.03(14) . . ?
N3 Ni3 N12 92.91(15) . . ?
N9 Ni3 N12 88.28(14) . . ?
N6 Ni3 N12 165.64(14) . . ?
O5 Ni3 Ni2 174.62(10) . . ?
N3 Ni3 Ni2 82.00(10) . . ?
N9 Ni3 Ni2 82.78(9) . . ?
N6 Ni3 Ni2 82.90(10) . . ?
N12 Ni3 Ni2 82.83(10) . . ?
O1 C41 O2 125.8(5) . . ?
O1 C41 C42 119.4(5) . . ?
O2 C41 C42 114.6(6) . . ?
C49 O5 Ni3 136.6(4) . . ?
C41 O1 Ni1 142.8(4) . . ?
C16 N5 C15 122.2(4) . . ?
C16 N5 Ni2 119.3(3) . . ?
C15 N5 Ni2 118.4(3) . . ?
C36 N12 C40 118.5(4) . . ?
C36 N12 Ni3 120.4(3) . . ?
C40 N12 Ni3 121.1(3) . . ?
C1 N1 C5 119.0(4) . . ?
C1 N1 Ni1 120.0(3) . . ?
C5 N1 Ni1 120.8(3) . . ?
C6 N2 C5 123.6(4) . . ?
C6 N2 Ni2 117.3(3) . . ?
C5 N2 Ni2 118.8(3) . . ?
C36 N11 C35 121.9(3) . . ?
C36 N11 Ni2 119.8(3) . . ?
C35 N11 Ni2 118.1(3) . . ?
C15 N4 C11 117.6(4) . . ?
C15 N4 Ni1 120.6(3) . . ?
C11 N4 Ni1 121.8(3) . . ?
C25 N8 C26 121.6(4) . . ?
C25 N8 Ni2 119.4(3) . . ?
C26 N8 Ni2 118.9(3) . . ?
C31 N10 C35 118.4(4) . . ?
C31 N10 Ni1 120.8(3) . . ?
C35 N10 Ni1 120.7(3) . . ?
C20 N6 C16 118.8(4) . . ?
C20 N6 Ni3 121.2(3) . . ?
C16 N6 Ni3 120.1(3) . . ?
C21 N7 C25 118.4(4) . . ?
C21 N7 Ni1 122.1(3) . . ?
C25 N7 Ni1 119.5(3) . . ?
C10 N3 C6 118.8(4) . . ?
C10 N3 Ni3 119.9(3) . . ?
C6 N3 Ni3 121.0(3) . . ?
C30 N9 C26 118.3(4) . . ?
C30 N9 Ni3 120.4(3) . . ?
C26 N9 Ni3 121.3(3) . . ?
N10 C35 N11 115.3(4) . . ?
N10 C35 C34 120.3(4) . . ?
N11 C35 C34 124.3(4) . . ?
N4 C15 N5 114.9(4) . . ?
N4 C15 C14 121.2(4) . . ?
N5 C15 C14 123.7(4) . . ?
N9 C30 C29 123.2(5) . . ?
N9 C30 H30 118.4 . . ?
C29 C30 H30 118.4 . . ?
N3 C6 N2 115.4(4) . . ?
N3 C6 C7 119.7(4) . . ?
N2 C6 C7 124.7(4) . . ?
N6 C16 N5 116.0(4) . . ?
N6 C16 C17 120.0(4) . . ?
N5 C16 C17 123.8(4) . . ?
C33 C34 C35 120.2(5) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C18 C17 C16 120.0(5) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
N7 C21 C22 124.2(5) . . ?
N7 C21 H21 117.9 . . ?
C22 C21 H21 117.9 . . ?
C44 C45 C46 121.7(9) . . ?
C44 C45 H45 119.2 . . ?
C46 C45 H45 119.2 . . ?
N9 C26 N8 115.1(4) . . ?
N9 C26 C27 120.1(4) . . ?
N8 C26 C27 124.6(4) . . ?
C31 C32 C33 118.2(4) . . ?
C31 C32 H32 120.9 . . ?
C33 C32 H32 120.9 . . ?
N10 C31 C32 123.2(4) . . ?
N10 C31 H31 118.4 . . ?
C32 C31 H31 118.4 . . ?
N12 C36 N11 116.2(4) . . ?
N12 C36 C37 120.3(4) . . ?
N11 C36 C37 123.4(4) . . ?
C38 C37 C36 120.0(5) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C23 C24 C25 120.1(5) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
N7 C25 N8 115.9(4) . . ?
N7 C25 C24 119.5(4) . . ?
N8 C25 C24 124.5(4) . . ?
C27 C28 C29 119.7(5) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C55 C50 C51 118.4(7) . . ?
C55 C50 C49 115.1(6) . . ?
C51 C50 C49 126.5(8) . . ?
N6 C20 C19 123.0(5) . . ?
N6 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?
C28 C27 C26 120.3(5) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C3 C4 C5 120.5(5) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C10 C9 C8 118.1(5) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
C40 C39 C38 118.4(5) . . ?
C40 C39 H39 120.8 . . ?
C38 C39 H39 120.8 . . ?
C37 C38 C39 119.4(5) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 H38 120.3 . . ?
N1 C5 N2 115.2(4) . . ?
N1 C5 C4 119.2(4) . . ?
N2 C5 C4 125.4(4) . . ?
N12 C40 C39 123.4(5) . . ?
N12 C40 H40 118.3 . . ?
C39 C40 H40 118.3 . . ?
C8 C7 C6 120.1(5) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C4 C3 C2 119.4(5) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C13 C14 C15 119.8(5) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C43 C42 C47 116.7(6) . . ?
C43 C42 C41 130.6(7) . . ?
C47 C42 C41 112.6(5) . . ?
C22 C23 C24 120.1(5) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C20 C19 C18 118.9(5) . . ?
C20 C19 H19 120.6 . . ?
C18 C19 H19 120.6 . . ?
N3 C10 C9 123.7(5) . . ?
N3 C10 H10 118.2 . . ?
C9 C10 H10 118.2 . . ?
N4 C11 C12 123.6(5) . . ?
N4 C11 H11 118.2 . . ?
C12 C11 H11 118.2 . . ?
O6 C49 O5 124.4(5) . . ?
O6 C49 C50 121.2(5) . . ?
O5 C49 C50 114.3(6) . . ?
C43 C44 C45 121.3(9) . . ?
C43 C44 H44 119.4 . . ?
C45 C44 H44 119.4 . . ?
C30 C29 C28 118.3(5) . . ?
C30 C29 H29 120.8 . . ?
C28 C29 H29 120.8 . . ?
C12 C13 C14 119.1(5) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
N1 C1 C2 123.2(5) . . ?
N1 C1 H1 118.4 . . ?
C2 C1 H1 118.4 . . ?
C23 C22 C21 117.7(5) . . ?
C23 C22 H22 121.1 . . ?
C21 C22 H22 121.1 . . ?
C11 C12 C13 118.7(5) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C9 C8 C7 119.5(5) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C19 C18 C17 119.4(5) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C34 C33 C32 119.6(5) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C1 C2 C3 118.5(5) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C44 C43 C42 120.1(9) . . ?
C44 C43 C48 112.3(8) . . ?
C42 C43 C48 127.6(7) . . ?
C53 C52 C51 124.3(13) . . ?
C53 C52 H52 117.8 . . ?
C51 C52 H52 117.8 . . ?
C46 C47 C42 124.3(7) . . ?
C46 C47 H47 117.9 . . ?
C42 C47 H47 117.9 . . ?
C48 O3 H3A 109.5 . . ?
C52 C51 C50 117.2(11) . . ?
C52 C51 C56 113.2(10) . . ?
C50 C51 C56 129.6(9) . . ?
C52 C53 C54 120.8(12) . . ?
C52 C53 H53 119.6 . . ?
C54 C53 H53 119.6 . . ?
C47 C46 C45 116.0(9) . . ?
C47 C46 H46 122.0 . . ?
C45 C46 H46 122.0 . . ?
C55 C54 C53 116.3(12) . . ?
C55 C54 H54 121.8 . . ?
C53 C54 H54 121.8 . . ?
O4 C48 O3 118.0(11) . . ?
O4 C48 C43 120.3(11) . . ?
O3 C48 C43 121.7(7) . . ?
C56 O7 H7A 109.5 . . ?
C50 C55 C54 122.9(9) . . ?
C50 C55 H55 118.6 . . ?
C54 C55 H55 118.6 . . ?
O8 C56 O7 125.6(18) . . ?
O8 C56 C51 114.6(16) . . ?
O7 C56 C51 119.8(9) . . ?
C57 Cl2 Cl3 122.1(10) . . ?
Cl1 C57 Cl2 126.6(12) . . ?
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
Ni2 N11 1.891(3) . ?
Ni2 N8 1.897(3) . ?
Ni2 N5 1.898(4) . ?
Ni2 N2 1.909(4) . ?
Ni2 Ni1 2.4117(7) . ?
Ni2 Ni3 2.4143(7) . ?
Ni1 O1 2.030(3) . ?
Ni1 N1 2.082(4) . ?
Ni1 N7 2.087(4) . ?
Ni1 N10 2.099(4) . ?
Ni1 N4 2.100(4) . ?
Ni3 O5 2.037(3) . ?
Ni3 N3 2.083(4) . ?
Ni3 N9 2.097(4) . ?
Ni3 N6 2.102(4) . ?
Ni3 N12 2.104(4) . ?
C41 O1 1.115(6) . ?
C41 O2 1.258(7) . ?
C41 C42 1.557(9) . ?
O5 C49 1.267(6) . ?
N5 C16 1.371(6) . ?
N5 C15 1.388(5) . ?
N12 C36 1.346(5) . ?
N12 C40 1.356(6) . ?
N1 C1 1.354(6) . ?
N1 C5 1.359(6) . ?
N2 C6 1.370(5) . ?
N2 C5 1.381(6) . ?
N11 C36 1.378(5) . ?
N11 C35 1.388(5) . ?
N4 C15 1.355(6) . ?
N4 C11 1.356(6) . ?
N8 C25 1.373(5) . ?
N8 C26 1.392(5) . ?
N10 C31 1.352(5) . ?
N10 C35 1.356(5) . ?
N6 C20 1.348(6) . ?
N6 C16 1.356(5) . ?
O6 C49 1.241(7) . ?
N7 C21 1.342(6) . ?
N7 C25 1.365(5) . ?
N3 C10 1.358(6) . ?
N3 C6 1.361(6) . ?
N9 C30 1.352(6) . ?
N9 C26 1.358(5) . ?
C35 C34 1.397(6) . ?
C15 C14 1.396(7) . ?
C30 C29 1.371(7) . ?
C30 H30 0.9300 . ?
C6 C7 1.397(6) . ?
C16 C17 1.396(7) . ?
C34 C33 1.367(7) . ?
C34 H34 0.9300 . ?
C17 C18 1.372(7) . ?
C17 H17 0.9300 . ?
C21 C22 1.376(7) . ?
C21 H21 0.9300 . ?
C45 C44 1.396(14) . ?
C45 C46 1.404(13) . ?
C45 H45 0.9300 . ?
C26 C27 1.398(6) . ?
C32 C31 1.374(7) . ?
C32 C33 1.378(7) . ?
C32 H32 0.9300 . ?
C31 H31 0.9300 . ?
C36 C37 1.408(6) . ?
C37 C38 1.367(7) . ?
C37 H37 0.9300 . ?
C24 C23 1.374(7) . ?
C24 C25 1.407(7) . ?
C24 H24 0.9300 . ?
C28 C27 1.358(7) . ?
C28 C29 1.377(7) . ?
C28 H28 0.9300 . ?
C50 C55 1.374(11) . ?
C50 C51 1.409(9) . ?
C50 C49 1.531(8) . ?
C20 C19 1.362(8) . ?
C20 H20 0.9300 . ?
C27 H27 0.9300 . ?
C4 C3 1.369(7) . ?
C4 C5 1.400(7) . ?
C4 H4 0.9300 . ?
C9 C10 1.362(7) . ?
C9 C8 1.385(8) . ?
C9 H9 0.9300 . ?
C39 C40 1.365(7) . ?
C39 C38 1.382(7) . ?
C39 H39 0.9300 . ?
C38 H38 0.9300 . ?
C40 H40 0.9300 . ?
C7 C8 1.388(7) . ?
C7 H7 0.9300 . ?
C3 C2 1.381(7) . ?
C3 H3 0.9300 . ?
C14 C13 1.382(7) . ?
C14 H14 0.9300 . ?
C42 C43 1.419(8) . ?
C42 C47 1.425(10) . ?
C23 C22 1.370(7) . ?
C23 H23 0.9300 . ?
C19 C18 1.372(8) . ?
C19 H19 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.370(8) . ?
C11 H11 0.9300 . ?
C44 C43 1.375(12) . ?
C44 H44 0.9300 . ?
C29 H29 0.9300 . ?
C13 C12 1.375(8) . ?
C13 H13 0.9300 . ?
C1 C2 1.357(7) . ?
C1 H1 0.9300 . ?
C22 H22 0.9300 . ?
C12 H12 0.9300 . ?
C8 H8 0.9300 . ?
C18 H18 0.9300 . ?
C33 H33 0.9300 . ?
C2 H2 0.9300 . ?
C43 C48 1.488(13) . ?
C52 C53 1.30(2) . ?
C52 C51 1.378(16) . ?
C52 H52 0.9300 . ?
C47 C46 1.392(9) . ?
C47 H47 0.9300 . ?
O3 C48 1.325(12) . ?
O3 H3A 0.8200 . ?
C51 C56 1.540(19) . ?
C53 C54 1.406(19) . ?
C53 H53 0.9300 . ?
O4 C48 1.205(9) . ?
C46 H46 0.9300 . ?
C54 C55 1.390(10) . ?
C54 H54 0.9300 . ?
O7 C56 1.243(18) . ?
O7 H7A 0.8200 . ?
C55 H55 0.9300 . ?
C56 O8 1.219(11) . ?
Cl1 C57 1.345(13) . ?
Cl2 C57 1.512(13) . ?
Cl2 Cl3 1.524(13) . ?
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
N11 Ni2 Ni1 N1 -63.64(15) . . . . ?
N8 Ni2 Ni1 N1 -153.23(15) . . . . ?
N5 Ni2 Ni1 N1 116.87(15) . . . . ?
N2 Ni2 Ni1 N1 26.92(16) . . . . ?
N11 Ni2 Ni1 N7 115.39(15) . . . . ?
N8 Ni2 Ni1 N7 25.80(15) . . . . ?
N5 Ni2 Ni1 N7 -64.10(15) . . . . ?
N2 Ni2 Ni1 N7 -154.05(15) . . . . ?
N11 Ni2 Ni1 N10 25.51(15) . . . . ?
N8 Ni2 Ni1 N10 -64.07(14) . . . . ?
N5 Ni2 Ni1 N10 -153.98(15) . . . . ?
N2 Ni2 Ni1 N10 116.07(15) . . . . ?
N11 Ni2 Ni1 N4 -154.03(16) . . . . ?
N8 Ni2 Ni1 N4 116.39(15) . . . . ?
N5 Ni2 Ni1 N4 26.48(16) . . . . ?
N2 Ni2 Ni1 N4 -63.47(16) . . . . ?
N11 Ni2 Ni3 N3 117.05(15) . . . . ?
N8 Ni2 Ni3 N3 -153.36(15) . . . . ?
N5 Ni2 Ni3 N3 -63.46(15) . . . . ?
N2 Ni2 Ni3 N3 26.49(16) . . . . ?
N11 Ni2 Ni3 N9 -66.09(15) . . . . ?
N8 Ni2 Ni3 N9 23.50(15) . . . . ?
N5 Ni2 Ni3 N9 113.40(15) . . . . ?
N2 Ni2 Ni3 N9 -156.65(15) . . . . ?
N11 Ni2 Ni3 N6 -155.36(15) . . . . ?
N8 Ni2 Ni3 N6 -65.77(15) . . . . ?
N5 Ni2 Ni3 N6 24.12(15) . . . . ?
N2 Ni2 Ni3 N6 114.08(15) . . . . ?
N11 Ni2 Ni3 N12 23.07(15) . . . . ?
N8 Ni2 Ni3 N12 112.66(15) . . . . ?
N5 Ni2 Ni3 N12 -157.44(15) . . . . ?
N2 Ni2 Ni3 N12 -67.48(15) . . . . ?
N3 Ni3 O5 C49 -35.5(5) . . . . ?
N9 Ni3 O5 C49 148.4(5) . . . . ?
N6 Ni3 O5 C49 -123.0(5) . . . . ?
N12 Ni3 O5 C49 59.7(5) . . . . ?
O2 C41 O1 Ni1 -0.8(12) . . . . ?
C42 C41 O1 Ni1 -176.0(4) . . . . ?
N1 Ni1 O1 C41 148.9(7) . . . . ?
N7 Ni1 O1 C41 -31.4(7) . . . . ?
N10 Ni1 O1 C41 60.8(7) . . . . ?
N4 Ni1 O1 C41 -121.8(7) . . . . ?
N8 Ni2 N5 C16 55.4(3) . . . . ?
N2 Ni2 N5 C16 -124.8(3) . . . . ?
Ni1 Ni2 N5 C16 144.9(3) . . . . ?
Ni3 Ni2 N5 C16 -35.1(3) . . . . ?
N8 Ni2 N5 C15 -127.7(3) . . . . ?
N2 Ni2 N5 C15 52.0(3) . . . . ?
Ni1 Ni2 N5 C15 -38.3(3) . . . . ?
Ni3 Ni2 N5 C15 141.7(3) . . . . ?
O5 Ni3 N12 C36 154.3(3) . . . . ?
N3 Ni3 N12 C36 -102.6(3) . . . . ?
N9 Ni3 N12 C36 61.8(3) . . . . ?
N6 Ni3 N12 C36 -14.8(8) . . . . ?
Ni2 Ni3 N12 C36 -21.1(3) . . . . ?
O5 Ni3 N12 C40 -24.2(4) . . . . ?
N3 Ni3 N12 C40 78.9(4) . . . . ?
N9 Ni3 N12 C40 -116.6(4) . . . . ?
N6 Ni3 N12 C40 166.7(5) . . . . ?
Ni2 Ni3 N12 C40 160.4(4) . . . . ?
O1 Ni1 N1 C1 -29.3(4) . . . . ?
N7 Ni1 N1 C1 151.7(5) . . . . ?
N10 Ni1 N1 C1 72.9(4) . . . . ?
N4 Ni1 N1 C1 -122.3(4) . . . . ?
Ni2 Ni1 N1 C1 155.4(4) . . . . ?
O1 Ni1 N1 C5 145.7(3) . . . . ?
N7 Ni1 N1 C5 -33.2(7) . . . . ?
N10 Ni1 N1 C5 -112.1(3) . . . . ?
N4 Ni1 N1 C5 52.8(3) . . . . ?
Ni2 Ni1 N1 C5 -29.6(3) . . . . ?
N11 Ni2 N2 C6 -129.1(3) . . . . ?
N5 Ni2 N2 C6 51.1(3) . . . . ?
Ni1 Ni2 N2 C6 140.7(3) . . . . ?
Ni3 Ni2 N2 C6 -38.8(3) . . . . ?
N11 Ni2 N2 C5 57.0(3) . . . . ?
N5 Ni2 N2 C5 -122.8(3) . . . . ?
Ni1 Ni2 N2 C5 -33.2(3) . . . . ?
Ni3 Ni2 N2 C5 147.3(3) . . . . ?
N8 Ni2 N11 C36 -123.2(3) . . . . ?
N2 Ni2 N11 C36 57.1(3) . . . . ?
Ni1 Ni2 N11 C36 147.4(3) . . . . ?
Ni3 Ni2 N11 C36 -32.7(3) . . . . ?
N8 Ni2 N11 C35 52.0(3) . . . . ?
N2 Ni2 N11 C35 -127.8(3) . . . . ?
Ni1 Ni2 N11 C35 -37.5(3) . . . . ?
Ni3 Ni2 N11 C35 142.5(3) . . . . ?
O1 Ni1 N4 C15 164.8(4) . . . . ?
N1 Ni1 N4 C15 -104.8(4) . . . . ?
N7 Ni1 N4 C15 59.7(3) . . . . ?
N10 Ni1 N4 C15 -24.9(8) . . . . ?
Ni2 Ni1 N4 C15 -23.2(3) . . . . ?
O1 Ni1 N4 C11 -18.5(4) . . . . ?
N1 Ni1 N4 C11 71.9(4) . . . . ?
N7 Ni1 N4 C11 -123.5(4) . . . . ?
N10 Ni1 N4 C11 151.8(5) . . . . ?
Ni2 Ni1 N4 C11 153.5(4) . . . . ?
N11 Ni2 N8 C25 -125.5(3) . . . . ?
N5 Ni2 N8 C25 54.3(3) . . . . ?
Ni1 Ni2 N8 C25 -35.3(3) . . . . ?
Ni3 Ni2 N8 C25 144.2(3) . . . . ?
N11 Ni2 N8 C26 55.6(3) . . . . ?
N5 Ni2 N8 C26 -124.6(3) . . . . ?
Ni1 Ni2 N8 C26 145.8(3) . . . . ?
Ni3 Ni2 N8 C26 -34.7(3) . . . . ?
O1 Ni1 N10 C31 -33.2(4) . . . . ?
N1 Ni1 N10 C31 -123.2(3) . . . . ?
N7 Ni1 N10 C31 72.0(3) . . . . ?
N4 Ni1 N10 C31 156.8(5) . . . . ?
Ni2 Ni1 N10 C31 155.0(3) . . . . ?
O1 Ni1 N10 C35 150.4(3) . . . . ?
N1 Ni1 N10 C35 60.3(3) . . . . ?
N7 Ni1 N10 C35 -104.5(3) . . . . ?
N4 Ni1 N10 C35 -19.7(7) . . . . ?
Ni2 Ni1 N10 C35 -21.4(3) . . . . ?
O5 Ni3 N6 C20 -17.4(4) . . . . ?
N3 Ni3 N6 C20 -119.6(4) . . . . ?
N9 Ni3 N6 C20 75.2(4) . . . . ?
N12 Ni3 N6 C20 151.8(5) . . . . ?
Ni2 Ni3 N6 C20 158.1(4) . . . . ?
O5 Ni3 N6 C16 163.4(3) . . . . ?
N3 Ni3 N6 C16 61.2(3) . . . . ?
N9 Ni3 N6 C16 -104.0(3) . . . . ?
N12 Ni3 N6 C16 -27.4(8) . . . . ?
Ni2 Ni3 N6 C16 -21.1(3) . . . . ?
O1 Ni1 N7 C21 -20.4(4) . . . . ?
N1 Ni1 N7 C21 158.5(5) . . . . ?
N10 Ni1 N7 C21 -122.7(4) . . . . ?
N4 Ni1 N7 C21 72.6(4) . . . . ?
Ni2 Ni1 N7 C21 154.9(3) . . . . ?
O1 Ni1 N7 C25 160.2(3) . . . . ?
N1 Ni1 N7 C25 -20.9(7) . . . . ?
N10 Ni1 N7 C25 57.8(3) . . . . ?
N4 Ni1 N7 C25 -106.8(3) . . . . ?
Ni2 Ni1 N7 C25 -24.5(3) . . . . ?
O5 Ni3 N3 C10 -25.5(4) . . . . ?
N9 Ni3 N3 C10 139.5(5) . . . . ?
N6 Ni3 N3 C10 67.9(4) . . . . ?
N12 Ni3 N3 C10 -126.5(4) . . . . ?
Ni2 Ni3 N3 C10 151.2(4) . . . . ?
O5 Ni3 N3 C6 160.7(3) . . . . ?
N9 Ni3 N3 C6 -34.3(7) . . . . ?
N6 Ni3 N3 C6 -105.9(3) . . . . ?
N12 Ni3 N3 C6 59.8(3) . . . . ?
Ni2 Ni3 N3 C6 -22.6(3) . . . . ?
O5 Ni3 N9 C30 -24.9(4) . . . . ?
N3 Ni3 N9 C30 169.7(5) . . . . ?
N6 Ni3 N9 C30 -118.9(4) . . . . ?
N12 Ni3 N9 C30 75.1(4) . . . . ?
Ni2 Ni3 N9 C30 158.0(4) . . . . ?
O5 Ni3 N9 C26 157.3(3) . . . . ?
N3 Ni3 N9 C26 -8.1(7) . . . . ?
N6 Ni3 N9 C26 63.3(3) . . . . ?
N12 Ni3 N9 C26 -102.7(3) . . . . ?
Ni2 Ni3 N9 C26 -19.7(3) . . . . ?
C31 N10 C35 N11 -175.0(4) . . . . ?
Ni1 N10 C35 N11 1.5(5) . . . . ?
C31 N10 C35 C34 0.3(6) . . . . ?
Ni1 N10 C35 C34 176.8(3) . . . . ?
C36 N11 C35 N10 -156.2(4) . . . . ?
Ni2 N11 C35 N10 28.7(5) . . . . ?
C36 N11 C35 C34 28.7(7) . . . . ?
Ni2 N11 C35 C34 -146.3(4) . . . . ?
C11 N4 C15 N5 -173.7(4) . . . . ?
Ni1 N4 C15 N5 3.2(5) . . . . ?
C11 N4 C15 C14 1.3(7) . . . . ?
Ni1 N4 C15 C14 178.1(4) . . . . ?
C16 N5 C15 N4 -154.9(4) . . . . ?
Ni2 N5 C15 N4 28.4(5) . . . . ?
C16 N5 C15 C14 30.3(7) . . . . ?
Ni2 N5 C15 C14 -146.4(4) . . . . ?
C26 N9 C30 C29 -1.2(7) . . . . ?
Ni3 N9 C30 C29 -179.0(4) . . . . ?
C10 N3 C6 N2 -172.1(4) . . . . ?
Ni3 N3 C6 N2 1.7(5) . . . . ?
C10 N3 C6 C7 3.3(6) . . . . ?
Ni3 N3 C6 C7 177.2(4) . . . . ?
C5 N2 C6 N3 -156.8(4) . . . . ?
Ni2 N2 C6 N3 29.6(5) . . . . ?
C5 N2 C6 C7 28.0(7) . . . . ?
Ni2 N2 C6 C7 -145.6(4) . . . . ?
C20 N6 C16 N5 -176.4(4) . . . . ?
Ni3 N6 C16 N5 2.8(5) . . . . ?
C20 N6 C16 C17 -1.1(6) . . . . ?
Ni3 N6 C16 C17 178.1(3) . . . . ?
C15 N5 C16 N6 -150.5(4) . . . . ?
Ni2 N5 C16 N6 26.2(5) . . . . ?
C15 N5 C16 C17 34.4(6) . . . . ?
Ni2 N5 C16 C17 -148.9(4) . . . . ?
N10 C35 C34 C33 0.3(7) . . . . ?
N11 C35 C34 C33 175.1(5) . . . . ?
N6 C16 C17 C18 2.4(7) . . . . ?
N5 C16 C17 C18 177.4(5) . . . . ?
C25 N7 C21 C22 -1.6(7) . . . . ?
Ni1 N7 C21 C22 179.0(4) . . . . ?
C30 N9 C26 N8 -176.5(4) . . . . ?
Ni3 N9 C26 N8 1.3(5) . . . . ?
C30 N9 C26 C27 -1.2(6) . . . . ?
Ni3 N9 C26 C27 176.6(3) . . . . ?
C25 N8 C26 N9 -152.1(4) . . . . ?
Ni2 N8 C26 N9 26.7(5) . . . . ?
C25 N8 C26 C27 32.8(6) . . . . ?
Ni2 N8 C26 C27 -148.3(4) . . . . ?
C35 N10 C31 C32 -1.3(7) . . . . ?
Ni1 N10 C31 C32 -177.8(4) . . . . ?
C33 C32 C31 N10 1.7(7) . . . . ?
C40 N12 C36 N11 -177.0(4) . . . . ?
Ni3 N12 C36 N11 4.5(5) . . . . ?
C40 N12 C36 C37 -1.1(6) . . . . ?
Ni3 N12 C36 C37 -179.6(3) . . . . ?
C35 N11 C36 N12 -151.6(4) . . . . ?
Ni2 N11 C36 N12 23.4(5) . . . . ?
C35 N11 C36 C37 32.6(7) . . . . ?
Ni2 N11 C36 C37 -152.4(4) . . . . ?
N12 C36 C37 C38 2.8(7) . . . . ?
N11 C36 C37 C38 178.5(5) . . . . ?
C21 N7 C25 N8 -172.6(4) . . . . ?
Ni1 N7 C25 N8 6.9(5) . . . . ?
C21 N7 C25 C24 3.2(6) . . . . ?
Ni1 N7 C25 C24 -177.4(3) . . . . ?
C26 N8 C25 N7 -157.1(4) . . . . ?
Ni2 N8 C25 N7 24.0(5) . . . . ?
C26 N8 C25 C24 27.3(6) . . . . ?
Ni2 N8 C25 C24 -151.6(4) . . . . ?
C23 C24 C25 N7 -3.0(7) . . . . ?
C23 C24 C25 N8 172.4(4) . . . . ?
C16 N6 C20 C19 -1.1(7) . . . . ?
Ni3 N6 C20 C19 179.7(4) . . . . ?
C29 C28 C27 C26 -1.9(8) . . . . ?
N9 C26 C27 C28 2.8(7) . . . . ?
N8 C26 C27 C28 177.6(5) . . . . ?
C36 C37 C38 C39 -2.6(8) . . . . ?
C40 C39 C38 C37 0.8(8) . . . . ?
C1 N1 C5 N2 -170.6(4) . . . . ?
Ni1 N1 C5 N2 14.3(5) . . . . ?
C1 N1 C5 C4 4.8(7) . . . . ?
Ni1 N1 C5 C4 -170.3(3) . . . . ?
C6 N2 C5 N1 -155.6(4) . . . . ?
Ni2 N2 C5 N1 17.9(5) . . . . ?
C6 N2 C5 C4 29.3(7) . . . . ?
Ni2 N2 C5 C4 -157.2(4) . . . . ?
C3 C4 C5 N1 -3.1(7) . . . . ?
C3 C4 C5 N2 171.8(5) . . . . ?
C36 N12 C40 C39 -0.8(7) . . . . ?
Ni3 N12 C40 C39 177.7(4) . . . . ?
C38 C39 C40 N12 1.0(8) . . . . ?
N3 C6 C7 C8 -0.7(8) . . . . ?
N2 C6 C7 C8 174.3(5) . . . . ?
C5 C4 C3 C2 -0.8(8) . . . . ?
N4 C15 C14 C13 -0.4(8) . . . . ?
N5 C15 C14 C13 174.1(5) . . . . ?
O1 C41 C42 C43 -168.2(6) . . . . ?
O2 C41 C42 C43 16.2(9) . . . . ?
O1 C41 C42 C47 15.3(8) . . . . ?
O2 C41 C42 C47 -160.3(6) . . . . ?
C25 C24 C23 C22 1.0(8) . . . . ?
N6 C20 C19 C18 2.0(9) . . . . ?
C6 N3 C10 C9 -4.2(7) . . . . ?
Ni3 N3 C10 C9 -178.1(4) . . . . ?
C8 C9 C10 N3 2.3(9) . . . . ?
C15 N4 C11 C12 -1.5(8) . . . . ?
Ni1 N4 C11 C12 -178.3(5) . . . . ?
Ni3 O5 C49 O6 2.6(9) . . . . ?
Ni3 O5 C49 C50 -178.0(3) . . . . ?
C55 C50 C49 O6 170.3(6) . . . . ?
C51 C50 C49 O6 -9.0(9) . . . . ?
C55 C50 C49 O5 -9.1(8) . . . . ?
C51 C50 C49 O5 171.6(5) . . . . ?
C46 C45 C44 C43 -1.3(15) . . . . ?
N9 C30 C29 C28 2.0(8) . . . . ?
C27 C28 C29 C30 -0.4(9) . . . . ?
C15 C14 C13 C12 -0.4(9) . . . . ?
C5 N1 C1 C2 -2.7(8) . . . . ?
Ni1 N1 C1 C2 172.5(4) . . . . ?
C24 C23 C22 C21 0.6(8) . . . . ?
N7 C21 C22 C23 -0.4(8) . . . . ?
N4 C11 C12 C13 0.7(9) . . . . ?
C14 C13 C12 C11 0.2(10) . . . . ?
C10 C9 C8 C7 0.5(9) . . . . ?
C6 C7 C8 C9 -1.2(9) . . . . ?
C20 C19 C18 C17 -0.6(9) . . . . ?
C16 C17 C18 C19 -1.5(8) . . . . ?
C35 C34 C33 C32 0.1(8) . . . . ?
C31 C32 C33 C34 -1.1(8) . . . . ?
N1 C1 C2 C3 -1.3(9) . . . . ?
C4 C3 C2 C1 3.0(9) . . . . ?
C45 C44 C43 C42 0.6(13) . . . . ?
C45 C44 C43 C48 178.4(9) . . . . ?
C47 C42 C43 C44 1.0(9) . . . . ?
C41 C42 C43 C44 -175.4(6) . . . . ?
C47 C42 C43 C48 -176.4(7) . . . . ?
C41 C42 C43 C48 7.3(11) . . . . ?
C43 C42 C47 C46 -2.1(10) . . . . ?
C41 C42 C47 C46 174.9(6) . . . . ?
C53 C52 C51 C50 -0.2(19) . . . . ?
C53 C52 C51 C56 -179.8(15) . . . . ?
C55 C50 C51 C52 0.4(10) . . . . ?
C49 C50 C51 C52 179.8(7) . . . . ?
C55 C50 C51 C56 180.0(8) . . . . ?
C49 C50 C51 C56 -0.7(11) . . . . ?
C51 C52 C53 C54 -1(3) . . . . ?
C42 C47 C46 C45 1.5(11) . . . . ?
C44 C45 C46 C47 0.3(13) . . . . ?
C52 C53 C54 C55 2(2) . . . . ?
C44 C43 C48 O4 -4.4(12) . . . . ?
C42 C43 C48 O4 173.1(8) . . . . ?
C44 C43 C48 O3 172.6(8) . . . . ?
C42 C43 C48 O3 -9.9(13) . . . . ?
C51 C50 C55 C54 0.8(11) . . . . ?
C49 C50 C55 C54 -178.6(7) . . . . ?
C53 C54 C55 C50 -2.1(14) . . . . ?
C52 C51 C56 O8 0.4(13) . . . . ?
C50 C51 C56 O8 -179.1(8) . . . . ?
C52 C51 C56 O7 177.8(11) . . . . ?
C50 C51 C56 O7 -1.7(16) . . . . ?
Cl3 Cl2 C57 Cl1 -26(2) . . . . ?
