#------------------------------------------------------------------------------
#$Date: 2017-10-20 10:07:57 +0300 (Fri, 20 Oct 2017) $
#$Revision: 202173 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/77/1547744.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_1547744
loop_
_publ_author_name
'Ryo Nozawa'
'Hiroko Tanaka'
'Won-Young Cha'
'Yongseok Hong'
'Ichiro Hisaki'
'Soji Shimizu'
'Ji-Young Shin'
'Tim Kowalczyk'
'Stephan Irle'
'Dongho Kim'
'Hiroshi Shinokubo'
_publ_section_title
;
 Stacked antiaromatic porphyrins
;
_journal_name_full               'Nature Communications'
_journal_page_first              13620
_journal_paper_doi               10.1038/ncomms13620
_journal_volume                  7
_journal_year                    2016
_chemical_formula_moiety         'C64 H40 N8 Ni2 S2, 2(C H Cl3)'
_chemical_formula_sum            'C66 H42 Cl6 N8 Ni2 S2'
_chemical_formula_weight         1341.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.5763(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   24.7680(2)
_cell_length_b                   13.84760(10)
_cell_length_c                   33.0065(3)
_cell_measurement_reflns_used    68849
_cell_measurement_temperature    93
_cell_measurement_theta_max      28.998
_cell_measurement_theta_min      1.408
_cell_volume                     11162.73(16)
_computing_cell_refinement       HKL2000
_computing_data_collection       HKL2000
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      93
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement.details
' 1.00 degrees, -1.0 sec, detector distance 74.82 mm'
_diffrn_measurement_device_type  'BL38B1 at SPring-8, CCD(MX225HE Rayonix)'
_diffrn_measurement.method       'ω scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.80000
_diffrn_reflns_av_R_equivalents  0.077
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            68849
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        28.685
_diffrn_reflns_theta_max         28.998
_diffrn_reflns_theta_min         1.408
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5472.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.87
_refine_diff_density_min         -1.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     793
_refine_ls_number_reflns         10347
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0719
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1161P)²+67.9093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2003
_refine_ls_wR_factor_ref         0.2032
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9694
_reflns_number_total             10347
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ncomms13620-s3.cif
_cod_data_source_block           5b
_cod_database_code               1547744
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.77433(2) 0.42326(4) 0.65736(2) 0.02864(16) Uani 1 1 d . . . . .
Ni2 Ni 0.73019(2) 0.25036(4) 0.61832(2) 0.03354(17) Uani 1 1 d . . . . .
Cl1 Cl 0.75258(9) -0.06850(15) 0.56020(6) 0.0828(5) Uani 1 1 d . . . . .
Cl2 Cl 0.65377(14) 0.04489(16) 0.55848(10) 0.1244(11) Uani 1 1 d . . . . .
Cl3 Cl 0.69614(12) -0.07313(16) 0.62916(6) 0.1066(9) Uani 1 1 d . . . . .
S1 S 0.57408(5) 0.12937(13) 0.71579(5) 0.0619(4) Uani 1 1 d . . . . .
S2 S 0.78438(5) 0.23708(10) 0.81048(4) 0.0432(3) Uani 1 1 d . . . . .
N1 N 0.84413(13) 0.3859(3) 0.66439(10) 0.0292(7) Uani 1 1 d . . . . .
N2 N 0.78829(13) 0.4809(2) 0.61187(10) 0.0285(7) Uani 1 1 d . . . . .
N3 N 0.70756(13) 0.4728(3) 0.65362(10) 0.0300(7) Uani 1 1 d . . . . .
N4 N 0.76326(14) 0.3804(3) 0.70622(11) 0.0328(7) Uani 1 1 d . . . . .
N5 N 0.78598(14) 0.1779(3) 0.64213(11) 0.0353(8) Uani 1 1 d . . . . .
N6 N 0.76313(14) 0.2851(3) 0.57641(11) 0.0326(7) Uani 1 1 d . . . . .
N7 N 0.67141(14) 0.3103(3) 0.59038(11) 0.0311(7) Uani 1 1 d . . . . .
N8 N 0.69451(15) 0.2018(3) 0.65643(12) 0.0374(8) Uani 1 1 d . . . . .
C1 C 0.70175(16) 0.5630(3) 0.58981(12) 0.0274(8) Uani 1 1 d . . . . .
C2 C 0.75627(16) 0.5416(3) 0.58484(12) 0.0282(8) Uani 1 1 d . . . . .
C3 C 0.79244(16) 0.5788(3) 0.55861(12) 0.0298(8) Uani 1 1 d . . . . .
H3 H 0.7828 0.6218 0.5370 0.036 Uiso 1 1 calc R U . . .
C4 C 0.84359(17) 0.5400(3) 0.57098(13) 0.0319(8) Uani 1 1 d . . . . .
H4 H 0.8746 0.5518 0.5593 0.038 Uiso 1 1 calc R U . . .
C5 C 0.84036(16) 0.4782(3) 0.60518(12) 0.0288(8) Uani 1 1 d . . . . .
C6 C 0.87503(16) 0.4213(3) 0.63758(12) 0.0279(8) Uani 1 1 d . . . . .
C7 C 0.93075(16) 0.3994(3) 0.65334(13) 0.0311(8) Uani 1 1 d . . . . .
H7 H 0.9609 0.4135 0.6409 0.037 Uiso 1 1 calc R U . . .
C8 C 0.93160(16) 0.3528(3) 0.69084(12) 0.0294(8) Uani 1 1 d . . . . .
H8 H 0.9626 0.3305 0.7082 0.035 Uiso 1 1 calc R U . . .
C9 C 0.87610(16) 0.3455(3) 0.69793(12) 0.0287(8) Uani 1 1 d . . . . .
C10 C 0.85303(16) 0.3163(3) 0.73307(12) 0.0307(8) Uani 1 1 d . . . . .
C11 C 0.79718(16) 0.3302(3) 0.73656(13) 0.0317(8) Uani 1 1 d . . . . .
C12 C 0.76283(17) 0.3067(3) 0.76683(13) 0.0343(9) Uani 1 1 d . . . . .
C13 C 0.71105(17) 0.3475(3) 0.75368(13) 0.0349(9) Uani 1 1 d . . . . .
H13 H 0.6812 0.3450 0.7674 0.042 Uiso 1 1 calc R U . . .
C14 C 0.71299(16) 0.3933(3) 0.71555(12) 0.0311(8) Uani 1 1 d . . . . .
C15 C 0.67863(16) 0.4508(3) 0.68361(12) 0.0297(8) Uani 1 1 d . . . . .
C16 C 0.62615(16) 0.4933(3) 0.67291(12) 0.0295(8) Uani 1 1 d . . . . .
H16 H 0.5976 0.4896 0.6879 0.035 Uiso 1 1 calc R U . . .
C17 C 0.62519(16) 0.5413(3) 0.63584(12) 0.0292(8) Uani 1 1 d . . . . .
H17 H 0.5956 0.5753 0.6215 0.035 Uiso 1 1 calc R U . . .
C18 C 0.67734(16) 0.5295(3) 0.62347(12) 0.0272(8) Uani 1 1 d . . . . .
C19 C 0.66964(16) 0.6293(3) 0.55948(12) 0.0294(8) Uani 1 1 d . . . . .
C20 C 0.66581(18) 0.6112(3) 0.51727(13) 0.0358(9) Uani 1 1 d . . . . .
H20 H 0.6824 0.5567 0.5083 0.043 Uiso 1 1 calc R U . . .
C21 C 0.63726(19) 0.6744(4) 0.48888(15) 0.0447(11) Uani 1 1 d . . . . .
H21 H 0.6343 0.6616 0.4609 0.054 Uiso 1 1 calc R U . . .
C22 C 0.61320(19) 0.7563(4) 0.50188(16) 0.0458(12) Uani 1 1 d . . . . .
H22 H 0.5943 0.7987 0.4827 0.055 Uiso 1 1 calc R U . . .
C23 C 0.61727(18) 0.7752(3) 0.54324(16) 0.0421(11) Uani 1 1 d . . . . .
H23 H 0.6015 0.8309 0.5519 0.051 Uiso 1 1 calc R U . . .
C24 C 0.64483(16) 0.7116(3) 0.57223(14) 0.0341(9) Uani 1 1 d . . . . .
H24 H 0.6467 0.7242 0.6001 0.041 Uiso 1 1 calc R U . . .
C25 C 0.89232(16) 0.2781(3) 0.76871(12) 0.0316(8) Uani 1 1 d . . . . .
C26 C 0.92456(16) 0.1976(3) 0.76451(13) 0.0317(8) Uani 1 1 d . . . . .
H26 H 0.9210 0.1657 0.7394 0.038 Uiso 1 1 calc R U . . .
C27 C 0.96209(17) 0.1647(3) 0.79768(14) 0.0371(10) Uani 1 1 d . . . . .
H27 H 0.9835 0.1108 0.7948 0.044 Uiso 1 1 calc R U . . .
C28 C 0.96755(17) 0.2121(4) 0.83499(14) 0.0422(11) Uani 1 1 d . . . . .
H28 H 0.9924 0.1896 0.8573 0.051 Uiso 1 1 calc R U . . .
C29 C 0.93632(18) 0.2926(4) 0.83925(13) 0.0437(11) Uani 1 1 d . . . . .
H29 H 0.9403 0.3243 0.8644 0.052 Uiso 1 1 calc R U . . .
C30 C 0.89903(18) 0.3269(4) 0.80631(13) 0.0380(10) Uani 1 1 d . . . . .
H30 H 0.8786 0.3821 0.8092 0.046 Uiso 1 1 calc R U . . .
C31 C 0.84947(16) 0.2009(3) 0.59374(13) 0.0310(8) Uani 1 1 d . . . . .
C32 C 0.81427(17) 0.2643(3) 0.56798(13) 0.0301(8) Uani 1 1 d . . . . .
C33 C 0.81639(17) 0.3114(3) 0.52889(12) 0.0302(8) Uani 1 1 d . . . . .
H33 H 0.8462 0.3114 0.5151 0.036 Uiso 1 1 calc R U . . .
C34 C 0.76741(17) 0.3556(3) 0.51593(12) 0.0319(8) Uani 1 1 d . . . . .
H34 H 0.7580 0.3915 0.4920 0.038 Uiso 1 1 calc R U . . .
C35 C 0.73291(17) 0.3367(3) 0.54603(12) 0.0304(8) Uani 1 1 d . . . . .
C36 C 0.67655(17) 0.3485(3) 0.55358(12) 0.0298(8) Uani 1 1 d . . . . .
C37 C 0.62328(17) 0.3759(3) 0.53394(13) 0.0329(9) Uani 1 1 d . . . . .
H37 H 0.6144 0.4058 0.5085 0.040 Uiso 1 1 calc R U . . .
C38 C 0.58705(17) 0.3499(3) 0.55981(13) 0.0323(8) Uani 1 1 d . . . . .
H38 H 0.5493 0.3584 0.5547 0.039 Uiso 1 1 calc R U . . .
C39 C 0.61826(17) 0.3074(3) 0.59601(13) 0.0326(9) Uani 1 1 d . . . . .
C40 C 0.60227(18) 0.2562(3) 0.63024(14) 0.0343(9) Uani 1 1 d . . . . .
C41 C 0.63965(17) 0.2054(3) 0.65993(14) 0.0363(9) Uani 1 1 d . . . . .
C42 C 0.63464(18) 0.1443(4) 0.69518(15) 0.0426(11) Uani 1 1 d . . . . .
C43 C 0.68580(18) 0.1050(4) 0.70960(15) 0.0405(10) Uani 1 1 d . . . . .
H43 H 0.6945 0.0628 0.7316 0.049 Uiso 1 1 calc R U . . .
C44 C 0.72248(17) 0.1414(3) 0.68447(14) 0.0368(9) Uani 1 1 d . . . . .
C45 C 0.77916(17) 0.1276(3) 0.67597(14) 0.0341(9) Uani 1 1 d . . . . .
C46 C 0.82738(18) 0.0747(3) 0.68886(14) 0.0363(9) Uani 1 1 d . . . . .
H46 H 0.8345 0.0344 0.7117 0.044 Uiso 1 1 calc R U . . .
C47 C 0.86250(18) 0.0942(3) 0.66099(13) 0.0353(9) Uani 1 1 d . . . . .
H47 H 0.8975 0.0692 0.6620 0.042 Uiso 1 1 calc R U . . .
C48 C 0.83544(17) 0.1593(3) 0.63064(13) 0.0321(8) Uani 1 1 d . . . . .
C49 C 0.90102(16) 0.1701(3) 0.58025(12) 0.0310(8) Uani 1 1 d . . . . .
C50 C 0.93654(18) 0.2370(4) 0.56709(14) 0.0374(9) Uani 1 1 d . . . . .
H50 H 0.9287 0.3026 0.5676 0.045 Uiso 1 1 calc R U . . .
C51 C 0.98367(18) 0.2060(4) 0.55315(14) 0.0448(11) Uani 1 1 d . . . . .
H51 H 1.0073 0.2511 0.5446 0.054 Uiso 1 1 calc R U . . .
C52 C 0.99569(18) 0.1083(4) 0.55187(14) 0.0448(11) Uani 1 1 d . . . . .
H52 H 1.0272 0.0877 0.5425 0.054 Uiso 1 1 calc R U . . .
C53 C 0.96069(19) 0.0423(4) 0.56453(14) 0.0433(11) Uani 1 1 d . . . . .
H53 H 0.9686 -0.0232 0.5636 0.052 Uiso 1 1 calc R U . . .
C54 C 0.91365(18) 0.0720(3) 0.57879(13) 0.0353(9) Uani 1 1 d . . . . .
H54 H 0.8905 0.0263 0.5874 0.042 Uiso 1 1 calc R U . . .
C55 C 0.54233(17) 0.2514(3) 0.63046(14) 0.0354(9) Uani 1 1 d . . . . .
C56 C 0.51140(18) 0.3349(3) 0.63152(14) 0.0381(10) Uani 1 1 d . . . . .
H56 H 0.5285 0.3949 0.6338 0.046 Uiso 1 1 calc R U . . .
C57 C 0.45453(18) 0.3288(4) 0.62916(15) 0.0440(11) Uani 1 1 d . . . . .
H57 H 0.4339 0.3847 0.6299 0.053 Uiso 1 1 calc R U . . .
C58 C 0.4291(2) 0.2396(4) 0.62576(15) 0.0491(13) Uani 1 1 d . . . . .
H58 H 0.3912 0.2357 0.6239 0.059 Uiso 1 1 calc R U . . .
C59 C 0.4593(2) 0.1569(4) 0.62511(17) 0.0530(13) Uani 1 1 d . . . . .
H59 H 0.4420 0.0971 0.6231 0.064 Uiso 1 1 calc R U . . .
C60 C 0.51605(19) 0.1621(4) 0.62742(16) 0.0446(11) Uani 1 1 d . . . . .
H60 H 0.5364 0.1057 0.6269 0.054 Uiso 1 1 calc R U . . .
C61 C 0.5990(2) 0.0920(5) 0.76858(19) 0.0618(17) Uani 1 1 d . . . . .
H61A H 0.5680 0.0776 0.7821 0.074 Uiso 1 1 calc R U . . .
H61B H 0.6204 0.0335 0.7684 0.074 Uiso 1 1 calc R U . . .
C62 C 0.63285(19) 0.1671(4) 0.79207(16) 0.0501(13) Uani 1 1 d . . . . .
H62 H 0.6174 0.2274 0.7949 0.060 Uiso 1 1 calc R U . . .
C63 C 0.6848(2) 0.1523(4) 0.80943(16) 0.0510(13) Uani 1 1 d . . . . .
H63 H 0.6991 0.0908 0.8069 0.061 Uiso 1 1 calc R U . . .
C64 C 0.72159(19) 0.2246(5) 0.83213(15) 0.0501(13) Uani 1 1 d . . . . .
H64A H 0.7307 0.2053 0.8607 0.060 Uiso 1 1 calc R U . . .
H64B H 0.7030 0.2864 0.8311 0.060 Uiso 1 1 calc R U . . .
C65 C 0.7140(4) -0.0025(5) 0.5900(2) 0.096(3) Uani 1 1 d . . . . .
H65 H 0.7363 0.0518 0.6024 0.115 Uiso 1 1 calc R U . . .
C66 C 0.4948(6) 0.3665(6) 0.7585(4) 0.050(4) Uani 0.5 1 d D . P A -1
H66 H 0.4847 0.3374 0.7833 0.060 Uiso 0.5 1 calc R U P A -1
Cl7 Cl 0.5528(3) 0.4455(6) 0.7746(3) 0.083(2) Uani 0.5 1 d . . P A -1
Cl8 Cl 0.4402(3) 0.4252(5) 0.7342(2) 0.0440(12) Uani 0.5 1 d . . P A -1
Cl9 Cl 0.51666(15) 0.2812(3) 0.73233(12) 0.0778(9) Uani 0.5 1 d D . P A -1
C67 C 1.0336(7) 0.5170(11) 0.5143(6) 0.087(4) Uani 0.5 1 d . . P B -1
H67 H 1.0690 0.4838 0.5204 0.104 Uiso 0.5 1 calc R U P B -1
Cl4 Cl 0.9921(4) 0.4698(5) 0.5482(4) 0.140(4) Uani 0.5 1 d . . P B -1
Cl5 Cl 1.0101(3) 0.5008(8) 0.4626(3) 0.146(4) Uani 0.5 1 d . . P B -1
Cl6 Cl 1.04606(17) 0.6389(2) 0.52637(11) 0.0724(9) Uani 0.5 1 d . . P B -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ni Ni 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.0000 0.0000
;
International Tables for Crystallography
(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
N3 Ni1 N4 84.83(15) . .
N3 Ni1 N1 173.30(17) . .
N4 Ni1 N1 94.44(15) . .
N3 Ni1 N2 94.43(15) . .
N4 Ni1 N2 172.36(17) . .
N1 Ni1 N2 85.41(15) . .
N3 Ni1 Ni2 90.60(12) . .
N4 Ni1 Ni2 91.38(13) . .
N1 Ni1 Ni2 96.08(12) . .
N2 Ni1 Ni2 96.23(11) . .
N5 Ni2 N8 85.17(16) . .
N5 Ni2 N6 94.15(16) . .
N8 Ni2 N6 172.52(18) . .
N5 Ni2 N7 172.75(17) . .
N8 Ni2 N7 94.70(16) . .
N6 Ni2 N7 85.04(15) . .
N5 Ni2 Ni1 93.61(12) . .
N8 Ni2 Ni1 101.27(13) . .
N6 Ni2 Ni1 86.21(12) . .
N7 Ni2 Ni1 93.53(12) . .
C42 S1 C61 103.2(2) . .
C12 S2 C64 102.3(2) . .
C6 N1 C9 111.3(3) . .
C6 N1 Ni1 116.8(3) . .
C9 N1 Ni1 129.9(3) . .
C5 N2 C2 112.0(3) . .
C5 N2 Ni1 116.8(3) . .
C2 N2 Ni1 130.3(3) . .
C15 N3 C18 111.4(3) . .
C15 N3 Ni1 117.6(3) . .
C18 N3 Ni1 130.9(3) . .
C14 N4 C11 112.1(3) . .
C14 N4 Ni1 116.8(3) . .
C11 N4 Ni1 131.0(3) . .
C45 N5 C48 112.0(4) . .
C45 N5 Ni2 117.4(3) . .
C48 N5 Ni2 130.5(3) . .
C35 N6 C32 112.1(3) . .
C35 N6 Ni2 116.7(3) . .
C32 N6 Ni2 131.1(3) . .
C36 N7 C39 111.9(3) . .
C36 N7 Ni2 117.0(3) . .
C39 N7 Ni2 129.6(3) . .
C44 N8 C41 111.3(4) . .
C44 N8 Ni2 117.3(3) . .
C41 N8 Ni2 130.8(3) . .
C2 C1 C18 123.8(4) . .
C2 C1 C19 117.6(4) . .
C18 C1 C19 118.4(3) . .
N2 C2 C1 120.6(4) . .
N2 C2 C3 105.0(3) . .
C1 C2 C3 133.9(4) . .
C4 C3 C2 108.4(4) . .
C4 C3 H3 125.8 . .
C2 C3 H3 125.8 . .
C3 C4 C5 107.4(4) . .
C3 C4 H4 126.3 . .
C5 C4 H4 126.3 . .
N2 C5 C4 107.1(3) . .
N2 C5 C6 110.6(3) . .
C4 C5 C6 141.8(4) . .
N1 C6 C7 107.6(3) . .
N1 C6 C5 110.0(3) . .
C7 C6 C5 141.9(4) . .
C8 C7 C6 107.1(3) . .
C8 C7 H7 126.5 . .
C6 C7 H7 126.5 . .
C7 C8 C9 107.7(3) . .
C7 C8 H8 126.1 . .
C9 C8 H8 126.1 . .
N1 C9 C10 121.0(3) . .
N1 C9 C8 106.3(3) . .
C10 C9 C8 132.3(4) . .
C11 C10 C9 123.5(4) . .
C11 C10 C25 120.0(4) . .
C9 C10 C25 116.2(3) . .
N4 C11 C10 119.5(4) . .
N4 C11 C12 104.8(3) . .
C10 C11 C12 135.6(4) . .
C13 C12 C11 107.9(3) . .
C13 C12 S2 128.1(3) . .
C11 C12 S2 124.0(3) . .
C12 C13 C14 106.9(4) . .
C12 C13 H13 126.5 . .
C14 C13 H13 126.5 . .
N4 C14 C13 108.3(3) . .
N4 C14 C15 110.8(4) . .
C13 C14 C15 140.9(4) . .
N3 C15 C16 107.5(3) . .
N3 C15 C14 109.5(3) . .
C16 C15 C14 143.1(4) . .
C17 C16 C15 107.4(3) . .
C17 C16 H16 126.3 . .
C15 C16 H16 126.3 . .
C16 C17 C18 108.3(3) . .
C16 C17 H17 125.9 . .
C18 C17 H17 125.9 . .
N3 C18 C17 105.4(3) . .
N3 C18 C1 119.7(3) . .
C17 C18 C1 134.9(4) . .
C24 C19 C20 119.1(4) . .
C24 C19 C1 121.0(4) . .
C20 C19 C1 119.9(4) . .
C21 C20 C19 120.0(4) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C22 C21 C20 120.4(5) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C23 C22 C21 119.9(4) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 120.5(5) . .
C22 C23 H23 119.7 . .
C24 C23 H23 119.7 . .
C23 C24 C19 120.0(4) . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
C26 C25 C30 119.3(4) . .
C26 C25 C10 121.0(4) . .
C30 C25 C10 119.6(4) . .
C27 C26 C25 120.3(4) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C28 C27 C26 120.0(4) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C29 C28 C27 120.1(4) . .
C29 C28 H28 119.9 . .
C27 C28 H28 119.9 . .
C28 C29 C30 120.6(4) . .
C28 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
C29 C30 C25 119.7(5) . .
C29 C30 H30 120.2 . .
C25 C30 H30 120.2 . .
C32 C31 C48 123.0(4) . .
C32 C31 C49 118.2(4) . .
C48 C31 C49 118.6(4) . .
N6 C32 C31 120.3(4) . .
N6 C32 C33 104.9(4) . .
C31 C32 C33 134.5(4) . .
C34 C33 C32 108.6(4) . .
C34 C33 H33 125.7 . .
C32 C33 H33 125.7 . .
C33 C34 C35 107.5(4) . .
C33 C34 H34 126.2 . .
C35 C34 H34 126.2 . .
N6 C35 C34 106.8(4) . .
N6 C35 C36 111.0(3) . .
C34 C35 C36 142.0(4) . .
N7 C36 C37 107.2(4) . .
N7 C36 C35 110.1(3) . .
C37 C36 C35 142.1(4) . .
C38 C37 C36 107.2(4) . .
C38 C37 H37 126.4 . .
C36 C37 H37 126.4 . .
C37 C38 C39 107.8(4) . .
C37 C38 H38 126.1 . .
C39 C38 H38 126.1 . .
N7 C39 C38 105.9(3) . .
N7 C39 C40 121.3(4) . .
C38 C39 C40 132.2(4) . .
C41 C40 C39 123.5(4) . .
C41 C40 C55 120.8(4) . .
C39 C40 C55 115.5(4) . .
N8 C41 C40 119.8(4) . .
N8 C41 C42 105.1(4) . .
C40 C41 C42 134.9(4) . .
C43 C42 C41 107.8(4) . .
C43 C42 S1 127.6(4) . .
C41 C42 S1 124.5(3) . .
C42 C43 C44 107.3(4) . .
C42 C43 H43 126.4 . .
C44 C43 H43 126.4 . .
N8 C44 C43 108.3(4) . .
N8 C44 C45 110.0(4) . .
C43 C44 C45 141.2(4) . .
N5 C45 C46 107.6(4) . .
N5 C45 C44 110.0(4) . .
C46 C45 C44 142.2(4) . .
C47 C46 C45 106.9(4) . .
C47 C46 H46 126.5 . .
C45 C46 H46 126.5 . .
C46 C47 C48 108.3(4) . .
C46 C47 H47 125.9 . .
C48 C47 H47 125.9 . .
N5 C48 C47 105.2(4) . .
N5 C48 C31 120.8(4) . .
C47 C48 C31 133.9(4) . .
C50 C49 C54 118.6(4) . .
C50 C49 C31 121.4(4) . .
C54 C49 C31 119.9(4) . .
C51 C50 C49 120.4(5) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C52 C51 C50 120.4(5) . .
C52 C51 H51 119.8 . .
C50 C51 H51 119.8 . .
C53 C52 C51 119.4(4) . .
C53 C52 H52 120.3 . .
C51 C52 H52 120.3 . .
C52 C53 C54 121.0(5) . .
C52 C53 H53 119.5 . .
C54 C53 H53 119.5 . .
C53 C54 C49 120.3(4) . .
C53 C54 H54 119.8 . .
C49 C54 H54 119.8 . .
C56 C55 C60 119.2(4) . .
C56 C55 C40 121.2(4) . .
C60 C55 C40 119.6(4) . .
C55 C56 C57 120.1(4) . .
C55 C56 H56 119.9 . .
C57 C56 H56 119.9 . .
C58 C57 C56 119.9(5) . .
C58 C57 H57 120.0 . .
C56 C57 H57 120.0 . .
C59 C58 C57 120.3(4) . .
C59 C58 H58 119.9 . .
C57 C58 H58 119.9 . .
C58 C59 C60 120.3(5) . .
C58 C59 H59 119.9 . .
C60 C59 H59 119.9 . .
C55 C60 C59 120.2(5) . .
C55 C60 H60 119.9 . .
C59 C60 H60 119.9 . .
C62 C61 S1 112.0(4) . .
C62 C61 H61A 109.2 . .
S1 C61 H61A 109.2 . .
C62 C61 H61B 109.2 . .
S1 C61 H61B 109.2 . .
H61A C61 H61B 107.9 . .
C63 C62 C61 122.8(6) . .
C63 C62 H62 118.6 . .
C61 C62 H62 118.6 . .
C62 C63 C64 125.8(6) . .
C62 C63 H63 117.1 . .
C64 C63 H63 117.1 . .
C63 C64 S2 111.2(4) . .
C63 C64 H64A 109.4 . .
S2 C64 H64A 109.4 . .
C63 C64 H64B 109.4 . .
S2 C64 H64B 109.4 . .
H64A C64 H64B 108.0 . .
Cl3 C65 Cl1 110.9(5) . .
Cl3 C65 Cl2 110.3(5) . .
Cl1 C65 Cl2 110.3(4) . .
Cl3 C65 H65 108.4 . .
Cl1 C65 H65 108.4 . .
Cl2 C65 H65 108.4 . .
Cl9 C66 Cl8 114.8(9) . .
Cl9 C66 Cl7 106.2(8) . .
Cl8 C66 Cl7 112.7(5) . .
Cl9 C66 H66 107.6 . .
Cl8 C66 H66 107.6 . .
Cl7 C66 H66 107.6 . .
Cl5 C67 Cl6 111.7(10) . .
Cl5 C67 Cl4 116.2(11) . .
Cl6 C67 Cl4 108.2(9) . .
Cl5 C67 H67 106.8 . .
Cl6 C67 H67 106.8 . .
Cl4 C67 H67 106.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N3 1.776(3) .
Ni1 N4 1.782(4) .
Ni1 N1 1.782(3) .
Ni1 N2 1.784(3) .
Ni1 Ni2 2.8494(8) .
Ni2 N5 1.781(4) .
Ni2 N8 1.784(4) .
Ni2 N6 1.785(4) .
Ni2 N7 1.792(3) .
Cl1 C65 1.739(8) .
Cl2 C65 1.795(11) .
Cl3 C65 1.737(7) .
S1 C42 1.759(5) .
S1 C61 1.824(6) .
S2 C12 1.742(4) .
S2 C64 1.824(5) .
N1 C6 1.354(5) .
N1 C9 1.369(5) .
N2 C5 1.345(5) .
N2 C2 1.377(5) .
N3 C15 1.350(5) .
N3 C18 1.385(5) .
N4 C14 1.343(5) .
N4 C11 1.383(5) .
N5 C45 1.350(6) .
N5 C48 1.366(5) .
N6 C35 1.352(5) .
N6 C32 1.372(5) .
N7 C36 1.350(5) .
N7 C39 1.360(5) .
N8 C44 1.351(6) .
N8 C41 1.384(5) .
C1 C2 1.419(5) .
C1 C18 1.428(6) .
C1 C19 1.487(5) .
C2 C3 1.441(6) .
C3 C4 1.374(6) .
C3 H3 0.9300 .
C4 C5 1.430(6) .
C4 H4 0.9300 .
C5 C6 1.482(5) .
C6 C7 1.424(5) .
C7 C8 1.393(6) .
C7 H7 0.9300 .
C8 C9 1.436(5) .
C8 H8 0.9300 .
C9 C10 1.434(6) .
C10 C11 1.420(6) .
C10 C25 1.493(5) .
C11 C12 1.453(6) .
C12 C13 1.403(6) .
C13 C14 1.417(6) .
C13 H13 0.9300 .
C14 C15 1.474(6) .
C15 C16 1.417(5) .
C16 C17 1.389(6) .
C16 H16 0.9300 .
C17 C18 1.427(5) .
C17 H17 0.9300 .
C19 C24 1.393(6) .
C19 C20 1.403(6) .
C20 C21 1.387(6) .
C20 H20 0.9300 .
C21 C22 1.383(8) .
C21 H21 0.9300 .
C22 C23 1.377(8) .
C22 H22 0.9300 .
C23 C24 1.393(6) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.392(6) .
C25 C30 1.399(6) .
C26 C27 1.390(6) .
C26 H26 0.9300 .
C27 C28 1.382(7) .
C27 H27 0.9300 .
C28 C29 1.378(8) .
C28 H28 0.9300 .
C29 C30 1.388(6) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.417(6) .
C31 C48 1.441(6) .
C31 C49 1.483(5) .
C32 C33 1.454(6) .
C33 C34 1.363(6) .
C33 H33 0.9300 .
C34 C35 1.438(6) .
C34 H34 0.9300 .
C35 C36 1.467(6) .
C36 C37 1.422(6) .
C37 C38 1.386(6) .
C37 H37 0.9300 .
C38 C39 1.437(6) .
C38 H38 0.9300 .
C39 C40 1.444(6) .
C40 C41 1.418(6) .
C40 C55 1.487(6) .
C41 C42 1.461(6) .
C42 C43 1.388(6) .
C43 C44 1.421(6) .
C43 H43 0.9300 .
C44 C45 1.489(6) .
C45 C46 1.405(6) .
C46 C47 1.394(6) .
C46 H46 0.9300 .
C47 C48 1.428(6) .
C47 H47 0.9300 .
C49 C50 1.395(6) .
C49 C54 1.397(6) .
C50 C51 1.392(6) .
C50 H50 0.9300 .
C51 C52 1.388(8) .
C51 H51 0.9300 .
C52 C53 1.372(8) .
C52 H52 0.9300 .
C53 C54 1.389(6) .
C53 H53 0.9300 .
C54 H54 0.9300 .
C55 C56 1.390(7) .
C55 C60 1.394(6) .
C56 C57 1.400(6) .
C56 H56 0.9300 .
C57 C58 1.384(8) .
C57 H57 0.9300 .
C58 C59 1.371(8) .
C58 H58 0.9300 .
C59 C60 1.397(7) .
C59 H59 0.9300 .
C60 H60 0.9300 .
C61 C62 1.473(9) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 C63 1.335(7) .
C62 H62 0.9300 .
C63 C64 1.471(9) .
C63 H63 0.9300 .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 H65 0.9800 .
C66 Cl9 1.610(10) .
C66 Cl8 1.664(18) .
C66 Cl7 1.814(16) .
C66 H66 0.9800 .
C67 Cl5 1.72(2) .
C67 Cl6 1.750(16) .
C67 Cl4 1.77(2) .
C67 H67 0.9800 .
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
N4 Ni1 N1 C6 -166.6(3) . . . .
N2 Ni1 N1 C6 5.7(3) . . . .
Ni2 Ni1 N1 C6 101.5(3) . . . .
N4 Ni1 N1 C9 -4.3(4) . . . .
N2 Ni1 N1 C9 168.1(4) . . . .
Ni2 Ni1 N1 C9 -96.1(4) . . . .
N3 Ni1 N2 C5 168.5(3) . . . .
N1 Ni1 N2 C5 -4.7(3) . . . .
Ni2 Ni1 N2 C5 -100.4(3) . . . .
N3 Ni1 N2 C2 -0.1(4) . . . .
N1 Ni1 N2 C2 -173.4(4) . . . .
Ni2 Ni1 N2 C2 91.0(4) . . . .
N4 Ni1 N3 C15 -6.1(3) . . . .
N2 Ni1 N3 C15 -178.5(3) . . . .
Ni2 Ni1 N3 C15 85.2(3) . . . .
N4 Ni1 N3 C18 176.9(4) . . . .
N2 Ni1 N3 C18 4.5(4) . . . .
Ni2 Ni1 N3 C18 -91.8(4) . . . .
N3 Ni1 N4 C14 6.7(3) . . . .
N1 Ni1 N4 C14 180.0(3) . . . .
Ni2 Ni1 N4 C14 -83.8(3) . . . .
N3 Ni1 N4 C11 -177.2(4) . . . .
N1 Ni1 N4 C11 -3.9(4) . . . .
Ni2 Ni1 N4 C11 92.3(4) . . . .
N8 Ni2 N5 C45 -3.2(3) . . . .
N6 Ni2 N5 C45 -175.7(3) . . . .
Ni1 Ni2 N5 C45 97.9(3) . . . .
N8 Ni2 N5 C48 172.9(4) . . . .
N6 Ni2 N5 C48 0.3(4) . . . .
Ni1 Ni2 N5 C48 -86.1(4) . . . .
N5 Ni2 N6 C35 173.8(3) . . . .
N7 Ni2 N6 C35 1.0(3) . . . .
Ni1 Ni2 N6 C35 -92.8(3) . . . .
N5 Ni2 N6 C32 -2.3(4) . . . .
N7 Ni2 N6 C32 -175.1(4) . . . .
Ni1 Ni2 N6 C32 91.0(4) . . . .
N8 Ni2 N7 C36 -170.8(3) . . . .
N6 Ni2 N7 C36 1.7(3) . . . .
Ni1 Ni2 N7 C36 87.6(3) . . . .
N8 Ni2 N7 C39 -5.9(4) . . . .
N6 Ni2 N7 C39 166.6(4) . . . .
Ni1 Ni2 N7 C39 -107.5(4) . . . .
N5 Ni2 N8 C44 2.3(4) . . . .
N7 Ni2 N8 C44 175.0(4) . . . .
Ni1 Ni2 N8 C44 -90.4(4) . . . .
N5 Ni2 N8 C41 -168.5(5) . . . .
N7 Ni2 N8 C41 4.2(5) . . . .
Ni1 Ni2 N8 C41 98.7(4) . . . .
C5 N2 C2 C1 -172.7(4) . . . .
Ni1 N2 C2 C1 -3.6(6) . . . .
C5 N2 C2 C3 0.8(4) . . . .
Ni1 N2 C2 C3 169.8(3) . . . .
C18 C1 C2 N2 3.9(6) . . . .
C19 C1 C2 N2 179.9(3) . . . .
C18 C1 C2 C3 -167.3(4) . . . .
C19 C1 C2 C3 8.7(7) . . . .
N2 C2 C3 C4 -0.3(4) . . . .
C1 C2 C3 C4 171.9(4) . . . .
C2 C3 C4 C5 -0.2(5) . . . .
C2 N2 C5 C4 -0.9(5) . . . .
Ni1 N2 C5 C4 -171.6(3) . . . .
C2 N2 C5 C6 173.5(3) . . . .
Ni1 N2 C5 C6 2.9(4) . . . .
C3 C4 C5 N2 0.7(5) . . . .
C3 C4 C5 C6 -170.9(5) . . . .
C9 N1 C6 C7 2.7(5) . . . .
Ni1 N1 C6 C7 168.2(3) . . . .
C9 N1 C6 C5 -170.9(3) . . . .
Ni1 N1 C6 C5 -5.3(4) . . . .
N2 C5 C6 N1 1.5(5) . . . .
C4 C5 C6 N1 172.9(5) . . . .
N2 C5 C6 C7 -168.5(5) . . . .
C4 C5 C6 C7 2.9(10) . . . .
N1 C6 C7 C8 -1.9(5) . . . .
C5 C6 C7 C8 168.3(5) . . . .
C6 C7 C8 C9 0.4(5) . . . .
C6 N1 C9 C10 170.7(4) . . . .
Ni1 N1 C9 C10 7.6(6) . . . .
C6 N1 C9 C8 -2.4(5) . . . .
Ni1 N1 C9 C8 -165.5(3) . . . .
C7 C8 C9 N1 1.1(5) . . . .
C7 C8 C9 C10 -170.9(4) . . . .
N1 C9 C10 C11 -2.7(6) . . . .
C8 C9 C10 C11 168.3(4) . . . .
N1 C9 C10 C25 -176.8(4) . . . .
C8 C9 C10 C25 -5.7(7) . . . .
C14 N4 C11 C10 -175.5(4) . . . .
Ni1 N4 C11 C10 8.3(6) . . . .
C14 N4 C11 C12 2.6(5) . . . .
Ni1 N4 C11 C12 -173.7(3) . . . .
C9 C10 C11 N4 -4.8(7) . . . .
C25 C10 C11 N4 169.1(4) . . . .
C9 C10 C11 C12 178.0(5) . . . .
C25 C10 C11 C12 -8.2(8) . . . .
N4 C11 C12 C13 -2.4(5) . . . .
C10 C11 C12 C13 175.2(5) . . . .
N4 C11 C12 S2 176.3(3) . . . .
C10 C11 C12 S2 -6.2(8) . . . .
C64 S2 C12 C13 3.8(5) . . . .
C64 S2 C12 C11 -174.5(4) . . . .
C11 C12 C13 C14 1.4(5) . . . .
S2 C12 C13 C14 -177.2(4) . . . .
C11 N4 C14 C13 -1.8(5) . . . .
Ni1 N4 C14 C13 175.1(3) . . . .
C11 N4 C14 C15 177.4(4) . . . .
Ni1 N4 C14 C15 -5.8(5) . . . .
C12 C13 C14 N4 0.1(5) . . . .
C12 C13 C14 C15 -178.6(5) . . . .
C18 N3 C15 C16 1.0(5) . . . .
Ni1 N3 C15 C16 -176.6(3) . . . .
C18 N3 C15 C14 -178.2(3) . . . .
Ni1 N3 C15 C14 4.3(5) . . . .
N4 C14 C15 N3 1.0(5) . . . .
C13 C14 C15 N3 179.7(5) . . . .
N4 C14 C15 C16 -177.6(5) . . . .
C13 C14 C15 C16 1.0(11) . . . .
N3 C15 C16 C17 -0.3(5) . . . .
C14 C15 C16 C17 178.3(6) . . . .
C15 C16 C17 C18 -0.4(5) . . . .
C15 N3 C18 C17 -1.2(5) . . . .
Ni1 N3 C18 C17 175.9(3) . . . .
C15 N3 C18 C1 177.8(4) . . . .
Ni1 N3 C18 C1 -5.0(6) . . . .
C16 C17 C18 N3 1.0(4) . . . .
C16 C17 C18 C1 -177.9(4) . . . .
C2 C1 C18 N3 0.2(6) . . . .
C19 C1 C18 N3 -175.8(3) . . . .
C2 C1 C18 C17 178.9(4) . . . .
C19 C1 C18 C17 2.9(7) . . . .
C2 C1 C19 C24 -125.7(4) . . . .
C18 C1 C19 C24 50.5(5) . . . .
C2 C1 C19 C20 51.8(5) . . . .
C18 C1 C19 C20 -132.0(4) . . . .
C24 C19 C20 C21 -0.5(6) . . . .
C1 C19 C20 C21 -178.1(4) . . . .
C19 C20 C21 C22 1.1(7) . . . .
C20 C21 C22 C23 -0.4(7) . . . .
C21 C22 C23 C24 -0.9(7) . . . .
C22 C23 C24 C19 1.5(7) . . . .
C20 C19 C24 C23 -0.8(6) . . . .
C1 C19 C24 C23 176.8(4) . . . .
C11 C10 C25 C26 126.5(4) . . . .
C9 C10 C25 C26 -59.2(6) . . . .
C11 C10 C25 C30 -56.9(6) . . . .
C9 C10 C25 C30 117.4(4) . . . .
C30 C25 C26 C27 1.6(6) . . . .
C10 C25 C26 C27 178.1(4) . . . .
C25 C26 C27 C28 -0.1(6) . . . .
C26 C27 C28 C29 -0.8(6) . . . .
C27 C28 C29 C30 0.1(7) . . . .
C28 C29 C30 C25 1.3(7) . . . .
C26 C25 C30 C29 -2.1(6) . . . .
C10 C25 C30 C29 -178.7(4) . . . .
C35 N6 C32 C31 -172.3(4) . . . .
Ni2 N6 C32 C31 4.0(6) . . . .
C35 N6 C32 C33 2.3(5) . . . .
Ni2 N6 C32 C33 178.6(3) . . . .
C48 C31 C32 N6 -3.3(6) . . . .
C49 C31 C32 N6 171.6(4) . . . .
C48 C31 C32 C33 -176.0(4) . . . .
C49 C31 C32 C33 -1.0(7) . . . .
N6 C32 C33 C34 -0.8(4) . . . .
C31 C32 C33 C34 172.6(4) . . . .
C32 C33 C34 C35 -0.8(5) . . . .
C32 N6 C35 C34 -2.8(5) . . . .
Ni2 N6 C35 C34 -179.7(3) . . . .
C32 N6 C35 C36 173.6(3) . . . .
Ni2 N6 C35 C36 -3.3(4) . . . .
C33 C34 C35 N6 2.1(5) . . . .
C33 C34 C35 C36 -172.4(5) . . . .
C39 N7 C36 C37 2.1(5) . . . .
Ni2 N7 C36 C37 169.6(3) . . . .
C39 N7 C36 C35 -171.3(3) . . . .
Ni2 N7 C36 C35 -3.8(4) . . . .
N6 C35 C36 N7 4.3(5) . . . .
C34 C35 C36 N7 178.8(5) . . . .
N6 C35 C36 C37 -165.3(5) . . . .
C34 C35 C36 C37 9.1(10) . . . .
N7 C36 C37 C38 -1.8(5) . . . .
C35 C36 C37 C38 168.0(5) . . . .
C36 C37 C38 C39 0.9(5) . . . .
C36 N7 C39 C38 -1.5(5) . . . .
Ni2 N7 C39 C38 -167.0(3) . . . .
C36 N7 C39 C40 170.5(4) . . . .
Ni2 N7 C39 C40 4.9(6) . . . .
C37 C38 C39 N7 0.3(5) . . . .
C37 C38 C39 C40 -170.4(5) . . . .
N7 C39 C40 C41 -0.5(7) . . . .
C38 C39 C40 C41 169.0(5) . . . .
N7 C39 C40 C55 -174.6(4) . . . .
C38 C39 C40 C55 -5.1(7) . . . .
C44 N8 C41 C40 -172.8(4) . . . .
Ni2 N8 C41 C40 -1.6(7) . . . .
C44 N8 C41 C42 3.1(5) . . . .
Ni2 N8 C41 C42 174.3(4) . . . .
C39 C40 C41 N8 -1.1(7) . . . .
C55 C40 C41 N8 172.7(4) . . . .
C39 C40 C41 C42 -175.5(5) . . . .
C55 C40 C41 C42 -1.7(8) . . . .
N8 C41 C42 C43 -2.3(6) . . . .
C40 C41 C42 C43 172.7(5) . . . .
N8 C41 C42 S1 175.4(4) . . . .
C40 C41 C42 S1 -9.6(9) . . . .
C61 S1 C42 C43 20.6(6) . . . .
C61 S1 C42 C41 -156.6(5) . . . .
C41 C42 C43 C44 0.7(6) . . . .
S1 C42 C43 C44 -176.8(4) . . . .
C41 N8 C44 C43 -2.7(6) . . . .
Ni2 N8 C44 C43 -175.3(3) . . . .
C41 N8 C44 C45 171.5(4) . . . .
Ni2 N8 C44 C45 -1.0(5) . . . .
C42 C43 C44 N8 1.1(6) . . . .
C42 C43 C44 C45 -170.2(6) . . . .
C48 N5 C45 C46 2.1(5) . . . .
Ni2 N5 C45 C46 178.8(3) . . . .
C48 N5 C45 C44 -173.5(4) . . . .
Ni2 N5 C45 C44 3.2(5) . . . .
N8 C44 C45 N5 -1.4(6) . . . .
C43 C44 C45 N5 169.9(6) . . . .
N8 C44 C45 C46 -174.5(6) . . . .
C43 C44 C45 C46 -3.2(12) . . . .
N5 C45 C46 C47 -1.0(5) . . . .
C44 C45 C46 C47 172.2(6) . . . .
C45 C46 C47 C48 -0.3(5) . . . .
C45 N5 C48 C47 -2.2(5) . . . .
Ni2 N5 C48 C47 -178.4(3) . . . .
C45 N5 C48 C31 176.1(4) . . . .
Ni2 N5 C48 C31 -0.1(6) . . . .
C46 C47 C48 N5 1.5(5) . . . .
C46 C47 C48 C31 -176.5(5) . . . .
C32 C31 C48 N5 1.5(6) . . . .
C49 C31 C48 N5 -173.4(4) . . . .
C32 C31 C48 C47 179.2(4) . . . .
C49 C31 C48 C47 4.2(7) . . . .
C32 C31 C49 C50 49.6(6) . . . .
C48 C31 C49 C50 -135.2(4) . . . .
C32 C31 C49 C54 -127.5(4) . . . .
C48 C31 C49 C54 47.7(5) . . . .
C54 C49 C50 C51 -0.5(6) . . . .
C31 C49 C50 C51 -177.6(4) . . . .
C49 C50 C51 C52 0.5(7) . . . .
C50 C51 C52 C53 -0.1(7) . . . .
C51 C52 C53 C54 -0.3(7) . . . .
C52 C53 C54 C49 0.4(7) . . . .
C50 C49 C54 C53 0.1(6) . . . .
C31 C49 C54 C53 177.3(4) . . . .
C41 C40 C55 C56 125.8(5) . . . .
C39 C40 C55 C56 -60.0(6) . . . .
C41 C40 C55 C60 -57.6(6) . . . .
C39 C40 C55 C60 116.7(5) . . . .
C60 C55 C56 C57 -0.6(7) . . . .
C40 C55 C56 C57 176.1(4) . . . .
C55 C56 C57 C58 0.0(7) . . . .
C56 C57 C58 C59 0.7(8) . . . .
C57 C58 C59 C60 -0.7(8) . . . .
C56 C55 C60 C59 0.6(7) . . . .
C40 C55 C60 C59 -176.2(5) . . . .
C58 C59 C60 C55 0.1(8) . . . .
C42 S1 C61 C62 62.8(5) . . . .
S1 C61 C62 C63 -120.8(5) . . . .
C61 C62 C63 C64 177.9(4) . . . .
C62 C63 C64 S2 -124.7(4) . . . .
C12 S2 C64 C63 77.3(4) . . . .
