#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:18:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179836 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/32/7013208.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_7013208
loop_
_publ_author_name
'Singh, Shubha'
'Mishra, Vibha'
'Mukherjee, Jhumpa'
'Seethalekshmi, N.'
'Mukherjee, Rabindranath'
_publ_section_title
;
 Synthesis and properties of [MII(L6)2][ClO4]2 (M = Fe, Co and Ni):
 structures of Co and Ni complexes and spin-state transition by Fe
 complex (L6 = 2-[3-(2?-pyridyl)pyrazol-1-ylmethyl]pyridine)Electronic
 supplementary information (ESI) available: Fig. S1?S6 discussed in the
 text. See http://www.rsc.org/suppdata/dt/b3/b305574d/
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3392
_journal_paper_doi               10.1039/b305574d
_journal_year                    2003
_chemical_formula_moiety         'C28 H24 N8 Ni 2+, 2(Cl O4) 2-'
_chemical_formula_sum            'C28 H24 Cl2 N8 Ni O8'
_chemical_formula_weight         730.16
_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                93.43(5)
_cell_angle_beta                 92.68(5)
_cell_angle_gamma                112.07(5)
_cell_formula_units_Z            4
_cell_length_a                   11.930(6)
_cell_length_b                   14.639(8)
_cell_length_c                   19.008(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15.58
_cell_measurement_theta_min      4.38
_cell_volume                     3062(3)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, et. al. 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CAD4 mach'
_diffrn_measurement_method       'non-profiled omega/2theta 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  0.2011
_diffrn_reflns_av_sigmaI/netI    0.3458
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8693
_diffrn_reflns_theta_full        22.53
_diffrn_reflns_theta_max         22.53
_diffrn_reflns_theta_min         1.08
_diffrn_standards_decay_%        3.07
_diffrn_standards_interval_count 90
_diffrn_standards_interval_time  'one hour'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.872
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light violet'
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular block'
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.860
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         8005
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.860
_refine_ls_R_factor_all          0.3413
_refine_ls_R_factor_gt           0.0775
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[σ²(Fo²)+(0.0724P)²+0.0000P] where P==(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1447
_refine_ls_wR_factor_ref         0.2073
_reflns_number_gt                2090
_reflns_number_total             8005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b305574d.txt
_cod_data_source_block           shubha
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013208
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 0.47840(16) 0.67841(12) 0.19321(9) 0.0494(6) Uani 1 1 d . . .
Ni2 Ni 0.94715(17) 0.26015(14) 0.31094(11) 0.0667(7) Uani 1 1 d . . .
Cl1 Cl 0.5603(6) 0.7706(4) 0.5846(3) 0.0883(16) Uani 1 1 d . . .
Cl3 Cl 0.7694(6) 0.5107(5) 0.0926(3) 0.1011(17) Uani 1 1 d . . .
Cl2 Cl 0.9331(6) 0.7750(5) 0.4025(3) 0.1115(19) Uani 1 1 d . . .
Cl4 Cl 0.2295(7) 0.9589(6) 0.0705(5) 0.133(3) Uani 1 1 d . . .
N2A N 0.5212(10) 0.6359(10) 0.2816(6) 0.053(4) Uani 1 1 d . . .
N7A N 0.3439(12) 0.7118(10) 0.0617(6) 0.059(4) Uani 1 1 d . . .
N8A N 0.2841(11) 0.6442(8) 0.2082(8) 0.056(3) Uani 1 1 d . . .
N6A N 0.4448(12) 0.7099(8) 0.1001(6) 0.052(3) Uani 1 1 d . . .
N5A N 0.6559(11) 0.7448(7) 0.1582(7) 0.047(3) Uani 1 1 d . . .
N4A N 0.4971(10) 0.8186(8) 0.2540(7) 0.052(3) Uani 1 1 d . . .
N1A N 0.4487(10) 0.5266(9) 0.1704(8) 0.059(3) Uani 1 1 d . . .
N8B N 0.7871(10) 0.1729(9) 0.2434(6) 0.054(3) Uani 1 1 d . . .
N1B N 1.0243(13) 0.3015(12) 0.2112(9) 0.095(6) Uani 1 1 d . . .
N3A N 0.5623(11) 0.6817(11) 0.3449(9) 0.068(4) Uani 1 1 d . . .
N5B N 1.0785(11) 0.3769(9) 0.3798(6) 0.067(4) Uani 1 1 d . . .
N4B N 0.8762(14) 0.1779(11) 0.3957(6) 0.074(4) Uani 1 1 d . . .
N6B N 0.8731(16) 0.3608(12) 0.3198(8) 0.094(5) Uani 1 1 d . . .
N3B N 1.0506(14) 0.1093(13) 0.3202(10) 0.094(6) Uani 1 1 d . . .
N7B N 0.7799(16) 0.3696(14) 0.2909(9) 0.104(6) Uani 1 1 d . . .
C23A C 0.2279(13) 0.6404(11) 0.0846(10) 0.074(5) Uani 1 1 d . . .
H23A H 0.1618 0.6449 0.0552 0.089 Uiso 1 1 calc R . .
H23B H 0.2267 0.5742 0.0752 0.089 Uiso 1 1 calc R . .
C19A C 0.6560(15) 0.7866(10) 0.0984(8) 0.046(4) Uani 1 1 d . . .
C9A C 0.6162(13) 0.7934(13) 0.3545(7) 0.070(5) Uani 1 1 d . . .
H9A1 H 0.6307 0.8141 0.4046 0.084 Uiso 1 1 calc R . .
H9A2 H 0.6939 0.8170 0.3339 0.084 Uiso 1 1 calc R . .
C20A C 0.5340(16) 0.7705(11) 0.0654(8) 0.048(4) Uani 1 1 d . . .
C24B C 0.7070(14) 0.2031(11) 0.2165(8) 0.049(4) Uani 1 1 d . . .
C25B C 0.6173(13) 0.1547(13) 0.1662(9) 0.074(5) Uani 1 1 d . . .
H25B H 0.5593 0.1793 0.1520 0.089 Uiso 1 1 calc R . .
C19B C 1.0494(17) 0.4547(13) 0.3987(9) 0.069(5) Uani 1 1 d . . .
C24A C 0.2038(17) 0.6526(11) 0.1587(10) 0.066(5) Uani 1 1 d . . .
C6A C 0.5003(15) 0.5407(12) 0.2926(13) 0.066(5) Uani 1 1 d . . .
C10B C 0.9038(17) 0.1027(14) 0.4173(10) 0.065(5) Uani 1 1 d . . .
C7A C 0.5299(15) 0.5336(15) 0.3607(12) 0.085(6) Uani 1 1 d . . .
H7A H 0.5243 0.4757 0.3806 0.102 Uiso 1 1 calc R . .
C22A C 0.3733(16) 0.7698(11) 0.0089(7) 0.060(5) Uani 1 1 d . . .
H22A H 0.3196 0.7794 -0.0240 0.072 Uiso 1 1 calc R . .
C18B C 1.1261(17) 0.5337(12) 0.4437(8) 0.072(5) Uani 1 1 d . . .
H18B H 1.1041 0.5867 0.4565 0.086 Uiso 1 1 calc R . .
C14A C 0.4354(16) 0.8673(11) 0.2234(8) 0.086(6) Uani 1 1 d . . .
H14A H 0.4100 0.8537 0.1756 0.103 Uiso 1 1 calc R . .
C22B C 0.7713(17) 0.4555(18) 0.3053(10) 0.083(7) Uani 1 1 d . . .
H22B H 0.7169 0.4811 0.2864 0.100 Uiso 1 1 calc R . .
C13A C 0.410(2) 0.9381(14) 0.2636(11) 0.107(8) Uani 1 1 d . . .
H13A H 0.3617 0.9686 0.2436 0.128 Uiso 1 1 calc R . .
C15A C 0.7607(18) 0.7516(11) 0.1922(8) 0.065(5) Uani 1 1 d . . .
H15A H 0.7612 0.7223 0.2342 0.078 Uiso 1 1 calc R . .
C16A C 0.8684(15) 0.8041(12) 0.1622(11) 0.079(6) Uani 1 1 d . . .
H16A H 0.9413 0.8076 0.1842 0.095 Uiso 1 1 calc R . .
C2A C 0.3932(14) 0.3778(14) 0.0990(10) 0.086(6) Uani 1 1 d . . .
H2A H 0.3728 0.3437 0.0545 0.103 Uiso 1 1 calc R . .
C28A C 0.2591(13) 0.6501(10) 0.2758(9) 0.066(5) Uani 1 1 d . . .
H28A H 0.3147 0.6458 0.3101 0.079 Uiso 1 1 calc R . .
C5A C 0.4586(13) 0.4812(15) 0.2275(11) 0.061(5) Uani 1 1 d . . .
C4B C 1.0821(15) 0.2355(15) 0.1109(13) 0.096(6) Uani 1 1 d . . .
H4B H 1.1037 0.1861 0.0898 0.115 Uiso 1 1 calc R . .
C25A C 0.1026(14) 0.6663(11) 0.1762(10) 0.080(5) Uani 1 1 d . . .
H25A H 0.0486 0.6716 0.1414 0.096 Uiso 1 1 calc R . .
C15B C 1.1860(17) 0.3758(13) 0.4046(9) 0.092(6) Uani 1 1 d . . .
H15B H 1.2073 0.3226 0.3913 0.110 Uiso 1 1 calc R . .
C5B C 1.0680(16) 0.2371(14) 0.1807(13) 0.074(6) Uani 1 1 d . . .
C21A C 0.4956(16) 0.8121(11) 0.0119(8) 0.069(5) Uani 1 1 d . . .
H21A H 0.5431 0.8592 -0.0163 0.082 Uiso 1 1 calc R . .
C12A C 0.4527(18) 0.9621(13) 0.3293(14) 0.116(8) Uani 1 1 d . . .
H12A H 0.4441 1.0154 0.3543 0.140 Uiso 1 1 calc R . .
C10A C 0.5375(14) 0.8395(11) 0.3217(9) 0.062(5) Uani 1 1 d . . .
C28B C 0.7814(12) 0.0872(13) 0.2206(9) 0.074(5) Uani 1 1 d . . .
H28B H 0.8340 0.0614 0.2414 0.089 Uiso 1 1 calc R . .
C11A C 0.5119(16) 0.9077(13) 0.3623(9) 0.092(6) Uani 1 1 d . . .
H11A H 0.5331 0.9181 0.4107 0.111 Uiso 1 1 calc R . .
C11B C 0.844(2) 0.0422(14) 0.4651(11) 0.079(5) Uani 1 1 d . . .
H11B H 0.8657 -0.0097 0.4772 0.095 Uiso 1 1 calc R . .
C27A C 0.1581(17) 0.6621(12) 0.2984(9) 0.090(6) Uani 1 1 d . . .
H27A H 0.1422 0.6635 0.3458 0.108 Uiso 1 1 calc R . .
C13B C 0.722(2) 0.1347(19) 0.4721(13) 0.110(8) Uani 1 1 d . . .
H13B H 0.6590 0.1492 0.4905 0.132 Uiso 1 1 calc R . .
C1B C 1.0060(18) 0.3644(17) 0.1697(15) 0.103(8) Uani 1 1 d . . .
H1B H 0.9773 0.4094 0.1909 0.124 Uiso 1 1 calc R . .
C4A C 0.4308(16) 0.3817(18) 0.2215(12) 0.093(6) Uani 1 1 d . . .
H4A H 0.4339 0.3490 0.2616 0.112 Uiso 1 1 calc R . .
C17A C 0.8705(16) 0.8486(12) 0.1043(11) 0.075(5) Uani 1 1 d . . .
H17A H 0.9440 0.8887 0.0883 0.090 Uiso 1 1 calc R . .
C1A C 0.4193(13) 0.4813(13) 0.1071(9) 0.073(5) Uani 1 1 d . . .
H1A H 0.4156 0.5158 0.0681 0.088 Uiso 1 1 calc R . .
C21B C 0.867(2) 0.4972(15) 0.3567(15) 0.138(10) Uani 1 1 d . . .
H21B H 0.8824 0.5567 0.3832 0.165 Uiso 1 1 calc R . .
C9B C 1.0209(19) 0.0973(14) 0.3929(13) 0.119(7) Uani 1 1 d . . .
H9B1 H 1.0871 0.1470 0.4221 0.142 Uiso 1 1 calc R . .
H9B2 H 1.0211 0.0335 0.4039 0.142 Uiso 1 1 calc R . .
C3A C 0.3983(17) 0.3300(16) 0.1563(15) 0.110(8) Uani 1 1 d . . .
H3A H 0.3799 0.2622 0.1519 0.132 Uiso 1 1 calc R . .
C8A C 0.5699(17) 0.6264(18) 0.3959(9) 0.090(6) Uani 1 1 d . . .
H8A H 0.5955 0.6453 0.4434 0.108 Uiso 1 1 calc R . .
C2B C 1.0239(19) 0.3715(17) 0.1003(16) 0.119(9) Uani 1 1 d . . .
H2B H 1.0092 0.4184 0.0746 0.142 Uiso 1 1 calc R . .
C12B C 0.748(2) 0.0576(17) 0.4965(11) 0.114(7) Uani 1 1 d . . .
H12B H 0.7060 0.0192 0.5310 0.137 Uiso 1 1 calc R . .
C26A C 0.0810(15) 0.6720(13) 0.2452(12) 0.092(6) Uani 1 1 d . . .
H26A H 0.0122 0.6830 0.2574 0.111 Uiso 1 1 calc R . .
C26B C 0.6175(16) 0.0687(14) 0.1382(10) 0.108(7) Uani 1 1 d . . .
H26B H 0.5627 0.0343 0.1002 0.129 Uiso 1 1 calc R . .
C17B C 1.2333(19) 0.5324(15) 0.4688(9) 0.100(7) Uani 1 1 d . . .
H17B H 1.2861 0.5847 0.4991 0.120 Uiso 1 1 calc R . .
C14B C 0.782(2) 0.1866(14) 0.4248(12) 0.086(7) Uani 1 1 d . . .
H14B H 0.7568 0.2354 0.4094 0.103 Uiso 1 1 calc R . .
C18A C 0.7601(19) 0.8351(11) 0.0662(9) 0.068(5) Uani 1 1 d . . .
H18A H 0.7581 0.8579 0.0217 0.082 Uiso 1 1 calc R . .
C8B C 1.085(2) 0.0391(18) 0.2932(15) 0.139(11) Uani 1 1 d . . .
H8B H 1.0961 -0.0146 0.3114 0.167 Uiso 1 1 calc R . .
C16B C 1.2637(15) 0.4529(16) 0.4493(11) 0.103(7) Uani 1 1 d . . .
H16B H 1.3374 0.4517 0.4664 0.123 Uiso 1 1 calc R . .
C20B C 0.929(2) 0.4456(14) 0.3634(13) 0.116(9) Uani 1 1 d . . .
C27B C 0.6981(19) 0.0312(12) 0.1651(10) 0.116(7) Uani 1 1 d . . .
H27B H 0.6975 -0.0295 0.1472 0.139 Uiso 1 1 calc R . .
C3B C 1.0661(14) 0.302(2) 0.0706(11) 0.105(7) Uani 1 1 d . . .
H3B H 1.0831 0.3026 0.0233 0.126 Uiso 1 1 calc R . .
C7B C 1.096(2) 0.0758(19) 0.2281(18) 0.171(14) Uani 1 1 d . . .
H7B H 1.1117 0.0428 0.1888 0.205 Uiso 1 1 calc R . .
C23B C 0.698(2) 0.298(2) 0.2425(13) 0.218(16) Uani 1 1 d . . .
H23C H 0.6925 0.3313 0.2007 0.261 Uiso 1 1 calc R . .
H23D H 0.6194 0.2796 0.2623 0.261 Uiso 1 1 calc R . .
O4 O 0.5445(18) 0.8228(13) 0.5376(9) 0.227(10) Uani 1 1 d . . .
O6 O 0.9841(13) 0.7238(10) 0.4416(7) 0.145(6) Uani 1 1 d . . .
O8 O 0.8538(12) 0.7158(10) 0.3483(7) 0.154(6) Uani 1 1 d . . .
O5 O 0.8837(14) 0.8247(12) 0.4450(8) 0.191(8) Uani 1 1 d . . .
O7 O 1.027(2) 0.8456(17) 0.3666(11) 0.289(13) Uani 1 1 d . . .
O9 O 0.7746(16) 0.5445(11) 0.1596(7) 0.188(7) Uani 1 1 d . . .
O11 O 0.8746(15) 0.5226(15) 0.0633(9) 0.209(9) Uani 1 1 d . . .
O10 O 0.709(2) 0.547(2) 0.0530(9) 0.295(15) Uani 1 1 d . . .
O3 O 0.614(3) 0.715(2) 0.5713(13) 0.348(18) Uani 1 1 d . . .
O1 O 0.456(2) 0.705(2) 0.5889(15) 0.338(18) Uani 1 1 d . . .
O12 O 0.713(2) 0.4129(14) 0.0891(15) 0.38(2) Uani 1 1 d . . .
O2 O 0.593(3) 0.8068(16) 0.6483(11) 0.355(19) Uani 1 1 d . . .
N2B N 1.0370(13) 0.1740(10) 0.2909(10) 0.093(6) Uani 1 1 d . . .
C6B C 1.083(2) 0.1654(19) 0.2250(15) 0.141(11) Uani 1 1 d . . .
O13 O 0.1509(14) 0.9932(16) 0.0463(9) 0.211(9) Uani 1 1 d . . .
O15 O 0.1902(15) 0.8986(13) 0.1238(11) 0.242(11) Uani 1 1 d . . .
O14 O 0.292(3) 1.047(3) 0.1104(13) 0.301(14) Uani 1 1 d . . .
O16 O 0.319(2) 0.9604(15) 0.0356(16) 0.344(18) 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'
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'
Cl Cl 0.1484 0.1585 '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'
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
N6A Ni1 N2A 172.8(5) . . ?
N6A Ni1 N1A 99.2(5) . . ?
N2A Ni1 N1A 75.0(6) . . ?
N6A Ni1 N5A 78.1(5) . . ?
N2A Ni1 N5A 98.4(5) . . ?
N1A Ni1 N5A 99.6(4) . . ?
N6A Ni1 N8A 86.3(6) . . ?
N2A Ni1 N8A 98.1(5) . . ?
N1A Ni1 N8A 92.5(4) . . ?
N5A Ni1 N8A 161.6(5) . . ?
N6A Ni1 N4A 99.3(5) . . ?
N2A Ni1 N4A 87.0(5) . . ?
N1A Ni1 N4A 160.1(5) . . ?
N5A Ni1 N4A 91.3(4) . . ?
N8A Ni1 N4A 81.5(4) . . ?
N2B Ni2 N6B 170.7(8) . . ?
N2B Ni2 N4B 88.9(8) . . ?
N6B Ni2 N4B 100.3(6) . . ?
N2B Ni2 N5B 101.1(5) . . ?
N6B Ni2 N5B 77.0(7) . . ?
N4B Ni2 N5B 92.1(5) . . ?
N2B Ni2 N8B 95.9(5) . . ?
N6B Ni2 N8B 85.8(6) . . ?
N4B Ni2 N8B 90.8(5) . . ?
N5B Ni2 N8B 162.8(5) . . ?
N2B Ni2 N1B 74.8(8) . . ?
N6B Ni2 N1B 96.3(7) . . ?
N4B Ni2 N1B 161.8(7) . . ?
N5B Ni2 N1B 98.9(5) . . ?
N8B Ni2 N1B 83.1(5) . . ?
O3 Cl1 O4 119.5(16) . . ?
O3 Cl1 O1 97.7(19) . . ?
O4 Cl1 O1 104.2(14) . . ?
O3 Cl1 O2 107.0(16) . . ?
O4 Cl1 O2 120.9(14) . . ?
O1 Cl1 O2 103.4(18) . . ?
O10 Cl3 O12 109.5(17) . . ?
O10 Cl3 O9 110.3(12) . . ?
O12 Cl3 O9 107.3(14) . . ?
O10 Cl3 O11 108.3(14) . . ?
O12 Cl3 O11 102.7(12) . . ?
O9 Cl3 O11 118.3(11) . . ?
O5 Cl2 O6 110.2(10) . . ?
O5 Cl2 O8 113.6(9) . . ?
O6 Cl2 O8 112.1(9) . . ?
O5 Cl2 O7 108.6(13) . . ?
O6 Cl2 O7 108.3(13) . . ?
O8 Cl2 O7 103.7(12) . . ?
O16 Cl4 O13 121.4(16) . . ?
O16 Cl4 O15 122.5(14) . . ?
O13 Cl4 O15 113.7(11) . . ?
O16 Cl4 O14 95.4(16) . . ?
O13 Cl4 O14 90.7(15) . . ?
O15 Cl4 O14 99.4(17) . . ?
N3A N2A C6A 102.5(14) . . ?
N3A N2A Ni1 133.2(12) . . ?
C6A N2A Ni1 124.0(14) . . ?
C22A N7A N6A 112.6(13) . . ?
C22A N7A C23A 134.5(14) . . ?
N6A N7A C23A 112.6(13) . . ?
C28A N8A C24A 117.1(13) . . ?
C28A N8A Ni1 114.2(11) . . ?
C24A N8A Ni1 124.5(11) . . ?
C20A N6A N7A 100.8(13) . . ?
C20A N6A Ni1 120.2(11) . . ?
N7A N6A Ni1 135.8(11) . . ?
C19A N5A C15A 120.8(14) . . ?
C19A N5A Ni1 112.3(11) . . ?
C15A N5A Ni1 126.8(12) . . ?
C10A N4A C14A 121.0(13) . . ?
C10A N4A Ni1 122.9(10) . . ?
C14A N4A Ni1 113.8(11) . . ?
C1A N1A C5A 123.1(16) . . ?
C1A N1A Ni1 123.5(13) . . ?
C5A N1A Ni1 113.3(12) . . ?
C28B N8B C24B 117.2(13) . . ?
C28B N8B Ni2 115.4(10) . . ?
C24B N8B Ni2 126.7(11) . . ?
C1B N1B C5B 116.1(19) . . ?
C1B N1B Ni2 127.3(17) . . ?
C5B N1B Ni2 114.2(16) . . ?
N2A N3A C8A 116.9(16) . . ?
N2A N3A C9A 120.2(14) . . ?
C8A N3A C9A 122.2(18) . . ?
C19B N5B C15B 119.3(14) . . ?
C19B N5B Ni2 116.6(11) . . ?
C15B N5B Ni2 124.1(12) . . ?
C14B N4B C10B 113.9(17) . . ?
C14B N4B Ni2 119.5(16) . . ?
C10B N4B Ni2 125.7(15) . . ?
N7B N6B C20B 105.2(17) . . ?
N7B N6B Ni2 134.6(16) . . ?
C20B N6B Ni2 120.2(16) . . ?
N2B N3B C8B 128(2) . . ?
N2B N3B C9B 119.6(19) . . ?
C8B N3B C9B 113(2) . . ?
N2B N3B C7B 83.0(16) . . ?
C8B N3B C7B 44.8(12) . . ?
C9B N3B C7B 157.2(19) . . ?
N6B N7B C22B 115.1(18) . . ?
N6B N7B C23B 123(2) . . ?
C22B N7B C23B 121(2) . . ?
C24A C23A N7A 116.8(13) . . ?
N5A C19A C18A 122.8(15) . . ?
N5A C19A C20A 115.0(15) . . ?
C18A C19A C20A 122.1(17) . . ?
C10A C9A N3A 113.1(12) . . ?
N6A C20A C21A 114.2(15) . . ?
N6A C20A C19A 112.5(15) . . ?
C21A C20A C19A 133.0(18) . . ?
N8B C24B C25B 127.4(14) . . ?
N8B C24B C23B 122.4(16) . . ?
C25B C24B C23B 110.1(16) . . ?
C26B C25B C24B 115.4(15) . . ?
N5B C19B C18B 121.9(15) . . ?
N5B C19B C20B 112.1(16) . . ?
C18B C19B C20B 126.1(17) . . ?
C25A C24A N8A 122.0(16) . . ?
C25A C24A C23A 121.0(18) . . ?
N8A C24A C23A 116.9(16) . . ?
C7A C6A N2A 110.0(17) . . ?
C7A C6A C5A 140.6(19) . . ?
N2A C6A C5A 109.3(19) . . ?
N4B C10B C11B 123.9(18) . . ?
N4B C10B C9B 116.1(19) . . ?
C11B C10B C9B 119.4(19) . . ?
C6A C7A C8A 108.6(16) . . ?
N7A C22A C21A 107.3(14) . . ?
C17B C18B C19B 118.8(17) . . ?
N4A C14A C13A 119.4(16) . . ?
N7B C22B C21B 99.7(16) . . ?
C12A C13A C14A 120(2) . . ?
N5A C15A C16A 117.7(15) . . ?
C17A C16A C15A 122.4(17) . . ?
C3A C2A C1A 119.4(18) . . ?
N8A C28A C27A 125.0(15) . . ?
N1A C5A C4A 119.5(19) . . ?
N1A C5A C6A 117.4(18) . . ?
C4A C5A C6A 123(2) . . ?
C3B C4B C5B 123(2) . . ?
C24A C25A C26A 118.9(17) . . ?
N5B C15B C16B 120.2(16) . . ?
C4B C5B N1B 119.8(17) . . ?
C4B C5B C6B 124(3) . . ?
N1B C5B C6B 116(2) . . ?
C22A C21A C20A 104.8(15) . . ?
C13A C12A C11A 120.1(18) . . ?
N4A C10A C11A 120.5(15) . . ?
N4A C10A C9A 121.6(14) . . ?
C11A C10A C9A 117.8(16) . . ?
N8B C28B C27B 121.7(15) . . ?
C10A C11A C12A 118.2(17) . . ?
C10B C11B C12B 119.7(19) . . ?
C28A C27A C26A 114.8(15) . . ?
C14B C13B C12B 121(3) . . ?
N1B C1B C2B 128(2) . . ?
C5A C4A C3A 120(2) . . ?
C16A C17A C18A 119.4(18) . . ?
N1A C1A C2A 118.4(15) . . ?
C20B C21B C22B 112(2) . . ?
N3B C9B C10B 121.0(18) . . ?
C2A C3A C4A 120(2) . . ?
N3A C8A C7A 102.0(16) . . ?
C1B C2B C3B 114(2) . . ?
C13B C12B C11B 114(2) . . ?
C25A C26A C27A 122.1(16) . . ?
C25B C26B C27B 120.2(17) . . ?
C18B C17B C16B 119.6(18) . . ?
C13B C14B N4B 127(2) . . ?
C19A C18A C17A 116.4(16) . . ?
N3B C8B C7B 92(2) . . ?
C15B C16B C17B 120.3(17) . . ?
C21B C20B N6B 107(2) . . ?
C21B C20B C19B 139(2) . . ?
N6B C20B C19B 114.0(19) . . ?
C26B C27B C28B 117.8(15) . . ?
C4B C3B C2B 119(2) . . ?
C8B C7B C6B 115(3) . . ?
C8B C7B N3B 42.9(16) . . ?
C6B C7B N3B 72.8(17) . . ?
N7B C23B C24B 125.7(19) . . ?
N3B N2B C6B 102.4(19) . . ?
N3B N2B Ni2 133.7(18) . . ?
C6B N2B Ni2 122.9(16) . . ?
C7B C6B N2B 101(2) . . ?
C7B C6B C5B 147(3) . . ?
N2B C6B C5B 110(2) . . ?
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 N6A 1.917(12) . ?
Ni1 N2A 1.938(11) . ?
Ni1 N1A 2.129(11) . ?
Ni1 N5A 2.130(11) . ?
Ni1 N8A 2.216(11) . ?
Ni1 N4A 2.224(11) . ?
Ni2 N2B 1.969(13) . ?
Ni2 N6B 1.985(13) . ?
Ni2 N4B 2.087(14) . ?
Ni2 N5B 2.148(11) . ?
Ni2 N8B 2.160(11) . ?
Ni2 N1B 2.166(18) . ?
Cl1 O3 1.226(18) . ?
Cl1 O4 1.261(14) . ?
Cl1 O1 1.26(2) . ?
Cl1 O2 1.274(18) . ?
Cl3 O10 1.284(18) . ?
Cl3 O12 1.329(18) . ?
Cl3 O9 1.329(11) . ?
Cl3 O11 1.351(16) . ?
Cl2 O5 1.351(12) . ?
Cl2 O6 1.360(12) . ?
Cl2 O8 1.376(12) . ?
Cl2 O7 1.44(2) . ?
Cl4 O16 1.275(17) . ?
Cl4 O13 1.298(15) . ?
Cl4 O15 1.366(16) . ?
Cl4 O14 1.38(3) . ?
N2A N3A 1.318(14) . ?
N2A C6A 1.351(16) . ?
N7A C22A 1.328(14) . ?
N7A N6A 1.387(13) . ?
N7A C23A 1.490(16) . ?
N8A C28A 1.339(15) . ?
N8A C24A 1.355(17) . ?
N6A C20A 1.334(16) . ?
N5A C19A 1.323(15) . ?
N5A C15A 1.346(16) . ?
N4A C10A 1.330(15) . ?
N4A C14A 1.339(16) . ?
N1A C1A 1.305(15) . ?
N1A C5A 1.329(16) . ?
N8B C28B 1.280(16) . ?
N8B C24B 1.292(15) . ?
N1B C1B 1.32(2) . ?
N1B C5B 1.35(2) . ?
N3A C8A 1.321(17) . ?
N3A C9A 1.511(17) . ?
N5B C19B 1.345(16) . ?
N5B C15B 1.351(16) . ?
N4B C14B 1.32(2) . ?
N4B C10B 1.343(17) . ?
N6B N7B 1.269(17) . ?
N6B C20B 1.37(2) . ?
N3B N2B 1.184(17) . ?
N3B C8B 1.32(3) . ?
N3B C9B 1.45(2) . ?
N3B C7B 1.94(3) . ?
N7B C22B 1.32(2) . ?
N7B C23B 1.39(2) . ?
C23A C24A 1.466(18) . ?
C19A C18A 1.371(17) . ?
C19A C20A 1.485(18) . ?
C9A C10A 1.482(17) . ?
C20A C21A 1.362(17) . ?
C24B C25B 1.347(17) . ?
C24B C23B 1.49(2) . ?
C25B C26B 1.339(19) . ?
C19B C18B 1.385(19) . ?
C19B C20B 1.51(3) . ?
C24A C25A 1.348(19) . ?
C6A C7A 1.35(2) . ?
C6A C5A 1.42(2) . ?
C10B C11B 1.34(2) . ?
C10B C9B 1.52(2) . ?
C7A C8A 1.38(2) . ?
C22A C21A 1.350(17) . ?
C18B C17B 1.351(19) . ?
C14A C13A 1.385(19) . ?
C22B C21B 1.39(3) . ?
C13A C12A 1.30(2) . ?
C15A C16A 1.394(18) . ?
C16A C17A 1.310(18) . ?
C2A C3A 1.34(2) . ?
C2A C1A 1.425(19) . ?
C28A C27A 1.366(17) . ?
C5A C4A 1.36(2) . ?
C4B C3B 1.34(2) . ?
C4B C5B 1.34(2) . ?
C25A C26A 1.352(19) . ?
C15B C16B 1.37(2) . ?
C5B C6B 1.44(3) . ?
C12A C11A 1.40(2) . ?
C10A C11A 1.359(18) . ?
C28B C27B 1.399(19) . ?
C11B C12B 1.39(2) . ?
C27A C26A 1.385(19) . ?
C13B C14B 1.28(2) . ?
C13B C12B 1.38(2) . ?
C1B C2B 1.35(2) . ?
C4A C3A 1.37(2) . ?
C17A C18A 1.413(18) . ?
C21B C20B 1.25(2) . ?
C2B C3B 1.39(2) . ?
C26B C27B 1.368(19) . ?
C17B C16B 1.38(2) . ?
C8B C7B 1.37(3) . ?
C7B C6B 1.38(3) . ?
N2B C6B 1.41(2) . ?
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
N6A Ni1 N2A N3A 142(4) . . . . ?
N1A Ni1 N2A N3A 178.9(13) . . . . ?
N5A Ni1 N2A N3A 81.1(12) . . . . ?
N8A Ni1 N2A N3A -90.7(12) . . . . ?
N4A Ni1 N2A N3A -9.7(12) . . . . ?
N6A Ni1 N2A C6A -46(5) . . . . ?
N1A Ni1 N2A C6A -9.1(11) . . . . ?
N5A Ni1 N2A C6A -106.8(11) . . . . ?
N8A Ni1 N2A C6A 81.4(11) . . . . ?
N4A Ni1 N2A C6A 162.3(11) . . . . ?
N6A Ni1 N8A C28A -156.6(10) . . . . ?
N2A Ni1 N8A C28A 29.1(10) . . . . ?
N1A Ni1 N8A C28A 104.3(10) . . . . ?
N5A Ni1 N8A C28A -124.4(15) . . . . ?
N4A Ni1 N8A C28A -56.6(10) . . . . ?
N6A Ni1 N8A C24A -0.6(11) . . . . ?
N2A Ni1 N8A C24A -174.9(11) . . . . ?
N1A Ni1 N8A C24A -99.7(12) . . . . ?
N5A Ni1 N8A C24A 32(2) . . . . ?
N4A Ni1 N8A C24A 99.4(12) . . . . ?
C22A N7A N6A C20A -0.2(14) . . . . ?
C23A N7A N6A C20A 173.8(11) . . . . ?
C22A N7A N6A Ni1 158.3(10) . . . . ?
C23A N7A N6A Ni1 -27.7(17) . . . . ?
N2A Ni1 N6A C20A -75(5) . . . . ?
N1A Ni1 N6A C20A -111.4(10) . . . . ?
N5A Ni1 N6A C20A -13.4(10) . . . . ?
N8A Ni1 N6A C20A 156.7(10) . . . . ?
N4A Ni1 N6A C20A 76.0(10) . . . . ?
N2A Ni1 N6A N7A 129(4) . . . . ?
N1A Ni1 N6A N7A 93.2(12) . . . . ?
N5A Ni1 N6A N7A -168.8(13) . . . . ?
N8A Ni1 N6A N7A 1.3(12) . . . . ?
N4A Ni1 N6A N7A -79.4(13) . . . . ?
N6A Ni1 N5A C19A 9.8(8) . . . . ?
N2A Ni1 N5A C19A -176.6(9) . . . . ?
N1A Ni1 N5A C19A 107.3(9) . . . . ?
N8A Ni1 N5A C19A -23.1(19) . . . . ?
N4A Ni1 N5A C19A -89.4(9) . . . . ?
N6A Ni1 N5A C15A -174.0(11) . . . . ?
N2A Ni1 N5A C15A -0.5(11) . . . . ?
N1A Ni1 N5A C15A -76.6(11) . . . . ?
N8A Ni1 N5A C15A 153.0(14) . . . . ?
N4A Ni1 N5A C15A 86.7(11) . . . . ?
N6A Ni1 N4A C10A -170.6(12) . . . . ?
N2A Ni1 N4A C10A 6.0(12) . . . . ?
N1A Ni1 N4A C10A 31(2) . . . . ?
N5A Ni1 N4A C10A -92.4(12) . . . . ?
N8A Ni1 N4A C10A 104.6(12) . . . . ?
N6A Ni1 N4A C14A 26.4(12) . . . . ?
N2A Ni1 N4A C14A -157.1(12) . . . . ?
N1A Ni1 N4A C14A -131.9(15) . . . . ?
N5A Ni1 N4A C14A 104.6(12) . . . . ?
N8A Ni1 N4A C14A -58.4(11) . . . . ?
N6A Ni1 N1A C1A 1.5(12) . . . . ?
N2A Ni1 N1A C1A -174.2(12) . . . . ?
N5A Ni1 N1A C1A -77.9(12) . . . . ?
N8A Ni1 N1A C1A 88.1(12) . . . . ?
N4A Ni1 N1A C1A 159.7(13) . . . . ?
N6A Ni1 N1A C5A -176.2(10) . . . . ?
N2A Ni1 N1A C5A 8.2(10) . . . . ?
N5A Ni1 N1A C5A 104.4(10) . . . . ?
N8A Ni1 N1A C5A -89.5(10) . . . . ?
N4A Ni1 N1A C5A -18.0(19) . . . . ?
N2B Ni2 N8B C28B 11.7(13) . . . . ?
N6B Ni2 N8B C28B -177.6(12) . . . . ?
N4B Ni2 N8B C28B -77.3(12) . . . . ?
N5B Ni2 N8B C28B -176.7(13) . . . . ?
N1B Ni2 N8B C28B 85.5(12) . . . . ?
N2B Ni2 N8B C24B -158.0(13) . . . . ?
N6B Ni2 N8B C24B 12.8(12) . . . . ?
N4B Ni2 N8B C24B 113.1(12) . . . . ?
N5B Ni2 N8B C24B 14(2) . . . . ?
N1B Ni2 N8B C24B -84.1(13) . . . . ?
N2B Ni2 N1B C1B 174.5(16) . . . . ?
N6B Ni2 N1B C1B -8.5(16) . . . . ?
N4B Ni2 N1B C1B 147(2) . . . . ?
N5B Ni2 N1B C1B -86.3(15) . . . . ?
N8B Ni2 N1B C1B 76.5(15) . . . . ?
N2B Ni2 N1B C5B 13.3(11) . . . . ?
N6B Ni2 N1B C5B -169.8(12) . . . . ?
N4B Ni2 N1B C5B -14(3) . . . . ?
N5B Ni2 N1B C5B 112.5(12) . . . . ?
N8B Ni2 N1B C5B -84.8(12) . . . . ?
C6A N2A N3A C8A -0.2(17) . . . . ?
Ni1 N2A N3A C8A 173.0(11) . . . . ?
C6A N2A N3A C9A 170.3(12) . . . . ?
Ni1 N2A N3A C9A -16.5(19) . . . . ?
N2B Ni2 N5B C19B 174.1(12) . . . . ?
N6B Ni2 N5B C19B 3.4(11) . . . . ?
N4B Ni2 N5B C19B -96.7(12) . . . . ?
N8B Ni2 N5B C19B 3(2) . . . . ?
N1B Ni2 N5B C19B 97.9(12) . . . . ?
N2B Ni2 N5B C15B -6.2(14) . . . . ?
N6B Ni2 N5B C15B -176.9(14) . . . . ?
N4B Ni2 N5B C15B 83.0(13) . . . . ?
N8B Ni2 N5B C15B -177.7(14) . . . . ?
N1B Ni2 N5B C15B -82.4(14) . . . . ?
N2B Ni2 N4B C14B -165.2(13) . . . . ?
N6B Ni2 N4B C14B 16.6(14) . . . . ?
N5B Ni2 N4B C14B 93.7(13) . . . . ?
N8B Ni2 N4B C14B -69.3(13) . . . . ?
N1B Ni2 N4B C14B -139.0(18) . . . . ?
N2B Ni2 N4B C10B 2.8(13) . . . . ?
N6B Ni2 N4B C10B -175.4(13) . . . . ?
N5B Ni2 N4B C10B -98.3(13) . . . . ?
N8B Ni2 N4B C10B 98.7(13) . . . . ?
N1B Ni2 N4B C10B 29(3) . . . . ?
N2B Ni2 N6B N7B 94(5) . . . . ?
N4B Ni2 N6B N7B -96.8(17) . . . . ?
N5B Ni2 N6B N7B 173.5(18) . . . . ?
N8B Ni2 N6B N7B -6.7(17) . . . . ?
N1B Ni2 N6B N7B 75.8(17) . . . . ?
N2B Ni2 N6B C20B -83(4) . . . . ?
N4B Ni2 N6B C20B 86.5(15) . . . . ?
N5B Ni2 N6B C20B -3.2(14) . . . . ?
N8B Ni2 N6B C20B 176.5(15) . . . . ?
N1B Ni2 N6B C20B -100.9(14) . . . . ?
C20B N6B N7B C22B 6(2) . . . . ?
Ni2 N6B N7B C22B -171.4(13) . . . . ?
C20B N6B N7B C23B -180(2) . . . . ?
Ni2 N6B N7B C23B 3(3) . . . . ?
C22A N7A C23A C24A -128.9(17) . . . . ?
N6A N7A C23A C24A 58.8(17) . . . . ?
C15A N5A C19A C18A 2.7(19) . . . . ?
Ni1 N5A C19A C18A 179.1(10) . . . . ?
C15A N5A C19A C20A 178.1(11) . . . . ?
Ni1 N5A C19A C20A -5.5(13) . . . . ?
N2A N3A C9A C10A 50.5(18) . . . . ?
C8A N3A C9A C10A -139.5(14) . . . . ?
N7A N6A C20A C21A 3.0(15) . . . . ?
Ni1 N6A C20A C21A -159.8(9) . . . . ?
N7A N6A C20A C19A 177.0(9) . . . . ?
Ni1 N6A C20A C19A 14.2(14) . . . . ?
N5A C19A C20A N6A -4.5(16) . . . . ?
C18A C19A C20A N6A 170.9(12) . . . . ?
N5A C19A C20A C21A 168.0(14) . . . . ?
C18A C19A C20A C21A -17(2) . . . . ?
C28B N8B C24B C25B 0(2) . . . . ?
Ni2 N8B C24B C25B 169.1(12) . . . . ?
C28B N8B C24B C23B 175.0(18) . . . . ?
Ni2 N8B C24B C23B -15(2) . . . . ?
N8B C24B C25B C26B -5(3) . . . . ?
C23B C24B C25B C26B 179.2(18) . . . . ?
C15B N5B C19B C18B -1(2) . . . . ?
Ni2 N5B C19B C18B 179.0(12) . . . . ?
C15B N5B C19B C20B 177.3(15) . . . . ?
Ni2 N5B C19B C20B -3.0(18) . . . . ?
C28A N8A C24A C25A 0(2) . . . . ?
Ni1 N8A C24A C25A -155.5(12) . . . . ?
C28A N8A C24A C23A -176.6(13) . . . . ?
Ni1 N8A C24A C23A 28.0(18) . . . . ?
N7A C23A C24A C25A 122.8(15) . . . . ?
N7A C23A C24A N8A -60.8(19) . . . . ?
N3A N2A C6A C7A -0.4(17) . . . . ?
Ni1 N2A C6A C7A -174.5(11) . . . . ?
N3A N2A C6A C5A -178.1(12) . . . . ?
Ni1 N2A C6A C5A 7.9(17) . . . . ?
C14B N4B C10B C11B -1(2) . . . . ?
Ni2 N4B C10B C11B -169.8(12) . . . . ?
C14B N4B C10B C9B -172.3(16) . . . . ?
Ni2 N4B C10B C9B 19(2) . . . . ?
N2A C6A C7A C8A 1(2) . . . . ?
C5A C6A C7A C8A 177.4(19) . . . . ?
N6A N7A C22A C21A -2.5(16) . . . . ?
C23A N7A C22A C21A -174.8(14) . . . . ?
N5B C19B C18B C17B 0(2) . . . . ?
C20B C19B C18B C17B -177.3(17) . . . . ?
C10A N4A C14A C13A -2(2) . . . . ?
Ni1 N4A C14A C13A 161.2(14) . . . . ?
N6B N7B C22B C21B -8(2) . . . . ?
C23B N7B C22B C21B 178(2) . . . . ?
N4A C14A C13A C12A 5(3) . . . . ?
C19A N5A C15A C16A 0.1(19) . . . . ?
Ni1 N5A C15A C16A -175.7(10) . . . . ?
N5A C15A C16A C17A 2(2) . . . . ?
C24A N8A C28A C27A 1(2) . . . . ?
Ni1 N8A C28A C27A 159.2(13) . . . . ?
C1A N1A C5A C4A -4(2) . . . . ?
Ni1 N1A C5A C4A 173.9(11) . . . . ?
C1A N1A C5A C6A 175.3(13) . . . . ?
Ni1 N1A C5A C6A -7.0(17) . . . . ?
C7A C6A C5A N1A -176(2) . . . . ?
N2A C6A C5A N1A 0.4(19) . . . . ?
C7A C6A C5A C4A 3(3) . . . . ?
N2A C6A C5A C4A 179.4(14) . . . . ?
N8A C24A C25A C26A 0(2) . . . . ?
C23A C24A C25A C26A 176.6(15) . . . . ?
C19B N5B C15B C16B 1(2) . . . . ?
Ni2 N5B C15B C16B -179.0(13) . . . . ?
C3B C4B C5B N1B 7(3) . . . . ?
C3B C4B C5B C6B 179.0(18) . . . . ?
C1B N1B C5B C4B -5(2) . . . . ?
Ni2 N1B C5B C4B 158.8(13) . . . . ?
C1B N1B C5B C6B -177.2(17) . . . . ?
Ni2 N1B C5B C6B -14(2) . . . . ?
N7A C22A C21A C20A 4.0(17) . . . . ?
N6A C20A C21A C22A -4.6(17) . . . . ?
C19A C20A C21A C22A -177.0(13) . . . . ?
C14A C13A C12A C11A -8(3) . . . . ?
C14A N4A C10A C11A 3(2) . . . . ?
Ni1 N4A C10A C11A -158.8(12) . . . . ?
C14A N4A C10A C9A -173.9(15) . . . . ?
Ni1 N4A C10A C9A 24(2) . . . . ?
N3A C9A C10A N4A -54.4(19) . . . . ?
N3A C9A C10A C11A 128.5(15) . . . . ?
C24B N8B C28B C27B 5(2) . . . . ?
Ni2 N8B C28B C27B -166.0(13) . . . . ?
N4A C10A C11A C12A -6(3) . . . . ?
C9A C10A C11A C12A 170.8(16) . . . . ?
C13A C12A C11A C10A 9(3) . . . . ?
N4B C10B C11B C12B -2(3) . . . . ?
C9B C10B C11B C12B 169.2(17) . . . . ?
N8A C28A C27A C26A -2(2) . . . . ?
C5B N1B C1B C2B 1(3) . . . . ?
Ni2 N1B C1B C2B -159.8(18) . . . . ?
N1A C5A C4A C3A 3(2) . . . . ?
C6A C5A C4A C3A -176.0(17) . . . . ?
C15A C16A C17A C18A -7(2) . . . . ?
C5A N1A C1A C2A 2(2) . . . . ?
Ni1 N1A C1A C2A -175.5(10) . . . . ?
C3A C2A C1A N1A 1(2) . . . . ?
N7B C22B C21B C20B 7(3) . . . . ?
N2B N3B C9B C10B 45(3) . . . . ?
C8B N3B C9B C10B -131.2(19) . . . . ?
C7B N3B C9B C10B -126(3) . . . . ?
N4B C10B C9B N3B -46(2) . . . . ?
C11B C10B C9B N3B 142.6(18) . . . . ?
C1A C2A C3A C4A -1(3) . . . . ?
C5A C4A C3A C2A -1(3) . . . . ?
N2A N3A C8A C7A 1(2) . . . . ?
C9A N3A C8A C7A -169.6(14) . . . . ?
C6A C7A C8A N3A -1(2) . . . . ?
N1B C1B C2B C3B 0(3) . . . . ?
C14B C13B C12B C11B 0(3) . . . . ?
C10B C11B C12B C13B 2(3) . . . . ?
C24A C25A C26A C27A -2(3) . . . . ?
C28A C27A C26A C25A 2(3) . . . . ?
C24B C25B C26B C27B 6(3) . . . . ?
C19B C18B C17B C16B 0(3) . . . . ?
C12B C13B C14B N4B -3(4) . . . . ?
C10B N4B C14B C13B 4(3) . . . . ?
Ni2 N4B C14B C13B 172.9(17) . . . . ?
N5A C19A C18A C17A -7(2) . . . . ?
C20A C19A C18A C17A 177.8(12) . . . . ?
C16A C17A C18A C19A 9(2) . . . . ?
N2B N3B C8B C7B 1(3) . . . . ?
C9B N3B C8B C7B 177.2(18) . . . . ?
N5B C15B C16B C17B 0(3) . . . . ?
C18B C17B C16B C15B 0(3) . . . . ?
C22B C21B C20B N6B -5(3) . . . . ?
C22B C21B C20B C19B 168(2) . . . . ?
N7B N6B C20B C21B 0(2) . . . . ?
Ni2 N6B C20B C21B 177.2(14) . . . . ?
N7B N6B C20B C19B -175.0(14) . . . . ?
Ni2 N6B C20B C19B 3(2) . . . . ?
N5B C19B C20B C21B -172(3) . . . . ?
C18B C19B C20B C21B 6(4) . . . . ?
N5B C19B C20B N6B 0(2) . . . . ?
C18B C19B C20B N6B 178.3(16) . . . . ?
C25B C26B C27B C28B -2(3) . . . . ?
N8B C28B C27B C26B -3(3) . . . . ?
C5B C4B C3B C2B -5(3) . . . . ?
C1B C2B C3B C4B 2(3) . . . . ?
N3B C8B C7B C6B 7(3) . . . . ?
N2B N3B C7B C8B -179(2) . . . . ?
C9B N3B C7B C8B -7(4) . . . . ?
N2B N3B C7B C6B 7.7(16) . . . . ?
C8B N3B C7B C6B -173(3) . . . . ?
C9B N3B C7B C6B 180(4) . . . . ?
N6B N7B C23B C24B -1(4) . . . . ?
C22B N7B C23B C24B 173(2) . . . . ?
N8B C24B C23B N7B 8(4) . . . . ?
C25B C24B C23B N7B -175(2) . . . . ?
C8B N3B N2B C6B -8(3) . . . . ?
C9B N3B N2B C6B 176.1(17) . . . . ?
C7B N3B N2B C6B -7.4(15) . . . . ?
C8B N3B N2B Ni2 159.8(18) . . . . ?
C9B N3B N2B Ni2 -16(3) . . . . ?
C7B N3B N2B Ni2 160.7(14) . . . . ?
N6B Ni2 N2B N3B 163(4) . . . . ?
N4B Ni2 N2B N3B -5.8(16) . . . . ?
N5B Ni2 N2B N3B 86.1(16) . . . . ?
N8B Ni2 N2B N3B -96.4(16) . . . . ?
N1B Ni2 N2B N3B -177.5(17) . . . . ?
N6B Ni2 N2B C6B -30(5) . . . . ?
N4B Ni2 N2B C6B 160.3(15) . . . . ?
N5B Ni2 N2B C6B -107.8(15) . . . . ?
N8B Ni2 N2B C6B 69.7(16) . . . . ?
N1B Ni2 N2B C6B -11.5(15) . . . . ?
C8B C7B C6B N2B -11(3) . . . . ?
N3B C7B C6B N2B -6.5(13) . . . . ?
C8B C7B C6B C5B -168(3) . . . . ?
N3B C7B C6B C5B -164(4) . . . . ?
N3B N2B C6B C7B 10(2) . . . . ?
Ni2 N2B C6B C7B -159.3(14) . . . . ?
N3B N2B C6B C5B 177.4(16) . . . . ?
Ni2 N2B C6B C5B 8(2) . . . . ?
C4B C5B C6B C7B -11(5) . . . . ?
N1B C5B C6B C7B 161(3) . . . . ?
C4B C5B C6B N2B -167.3(17) . . . . ?
N1B C5B C6B N2B 5(2) . . . . ?
