#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:29:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179751 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/47/7004747.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_7004747
loop_
_publ_author_name
'Chollet-Krugler, Marylène'
'Tomasi, Sophie'
'Uriac, Philippe'
'Toupet, Loic'
'van de Weghe, Pierre'
_publ_section_title
;
 Preparation and characterization of copper(ii) and nickel(ii)
 complexes of a new chiral salen ligand derived from (+)-usnic acid
;
_journal_issue                   46
_journal_name_full               'Dalton Transactions'
_journal_page_first              6524
_journal_page_last               6526
_journal_paper_doi               10.1039/b811589c
_journal_year                    2008
_chemical_formula_sum            'C134 H118 Cl6 N4 Ni2 O24'
_chemical_formula_weight         2498.44
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.5190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.912(2)
_cell_length_b                   23.792(4)
_cell_length_c                   17.535(2)
_cell_measurement_temperature    110(2)
_cell_volume                     6086.9(15)
_computing_cell_refinement
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_data_collection
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_data_reduction
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.26'
_computing_molecular_graphics    'PLATON_(Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-97_(Altomare & al., 1998)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 19.64
_diffrn_measured_fraction_theta_full 0.846
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_device_type  'CCD Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1261
_diffrn_reflns_av_sigmaI/netI    0.4268
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            96611
_diffrn_reflns_theta_full        33.53
_diffrn_reflns_theta_max         33.53
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.001(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.701
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1568
_refine_ls_number_reflns         36765
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.701
_refine_ls_R_factor_all          0.2304
_refine_ls_R_factor_gt           0.0622
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0627P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1245
_refine_ls_wR_factor_ref         0.1512
_reflns_number_gt                10683
_reflns_number_total             36765
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b811589c.txt
_cod_data_source_block           mk18
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_cell_volume        6087.0(15)
_cod_original_sg_symbol_H-M      P21
_cod_database_code               7004747
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
C201 C 1.2081(5) 0.8208(4) 0.6799(5) 0.104(3) Uani 1 1 d . . .
H201 H 1.1705 0.8014 0.7061 0.135 Uiso 1 1 calc R . .
Cl1 Cl 1.30748(18) 0.84418(14) 0.75699(19) 0.1369(11) Uani 1 1 d . . .
Cl2 Cl 1.2367(2) 0.77061(13) 0.6162(2) 0.1455(11) Uani 1 1 d . . .
Cl3 Cl 1.14262(18) 0.87149(15) 0.6140(2) 0.1618(14) Uani 1 1 d . . .
C202 C 0.9795(6) 0.7095(4) 0.4045(7) 0.029(3) Uani 0.502(2) 1 d P A 1
H202 H 0.9585 0.7225 0.3456 0.038 Uiso 0.502(2) 1 calc PR A 1
Cl4 Cl 0.98010(16) 0.76858(11) 0.46654(17) 0.0314(8) Uani 0.502(2) 1 d P A 1
Cl5 Cl 1.09096(16) 0.68173(11) 0.43461(18) 0.0334(8) Uani 0.502(2) 1 d P A 1
Cl6 Cl 0.9035(2) 0.65826(13) 0.4083(2) 0.0543(10) Uani 0.502(2) 1 d P A 1
C203 C 0.6933(7) 0.5567(6) 0.3394(9) 0.062(4) Uani 0.498(2) 1 d P A 2
H203 H 0.6549 0.5486 0.3715 0.081 Uiso 0.498(2) 1 calc PR A 2
Cl7 Cl 0.7846(3) 0.5916(3) 0.4121(4) 0.157(3) Uani 0.498(2) 1 d P A 2
Cl8 Cl 0.7241(3) 0.49222(16) 0.3237(3) 0.0782(13) Uani 0.498(2) 1 d P A 2
Cl9 Cl 0.6286(3) 0.59428(18) 0.2688(3) 0.0898(16) Uani 0.498(2) 1 d P A 2
Ni1 Ni 1.49617(4) 0.80579(3) 0.40534(5) 0.03049(19) Uani 1 1 d . . .
O1 O 1.4034(2) 0.85820(14) 0.3701(2) 0.0337(10) Uani 1 1 d . . .
O2 O 1.1138(2) 0.94297(15) 0.2623(2) 0.0392(10) Uani 1 1 d . . .
O3 O 1.0099(4) 1.0381(2) 0.1583(4) 0.0876(17) Uani 1 1 d . . .
O4 O 0.7847(3) 0.9544(2) 0.1198(3) 0.0598(13) Uani 1 1 d . . .
O5 O 0.9393(2) 0.77648(16) 0.2081(2) 0.0369(10) Uani 1 1 d . . .
O6 O 1.1309(2) 0.75806(16) 0.2161(2) 0.0356(9) Uani 1 1 d . . .
O7 O 1.8355(2) 0.77770(16) 0.6508(2) 0.0409(11) Uani 1 1 d . . .
O8 O 2.0271(2) 0.82673(15) 0.7443(2) 0.0338(9) Uani 1 1 d . . .
O9 O 2.0763(2) 0.98953(15) 0.9194(2) 0.0397(10) Uani 1 1 d . . .
O10 O 1.8969(3) 1.0327(2) 0.9033(3) 0.0794(18) Uani 1 1 d . . .
O11 O 1.7948(2) 0.96362(15) 0.6777(2) 0.0374(10) Uani 1 1 d . . .
O12 O 1.5676(2) 0.86573(15) 0.4609(2) 0.0353(10) Uani 1 1 d . . .
N1 N 1.4183(3) 0.74606(17) 0.3562(3) 0.0306(12) Uani 1 1 d . . .
N2 N 1.5944(3) 0.75710(18) 0.4386(3) 0.0259(10) Uani 1 1 d . . .
C1 C 1.3163(4) 0.8499(2) 0.3331(3) 0.0284(14) Uani 1 1 d . . .
C2 C 1.2624(4) 0.9017(2) 0.3128(4) 0.0374(15) Uani 1 1 d . . .
H2 H 1.2911 0.9372 0.3161 0.045 Uiso 1 1 calc R . .
C3 C 1.1736(4) 0.8981(2) 0.2901(4) 0.0355(15) Uani 1 1 d . . .
C4 C 1.0277(4) 0.9191(2) 0.2214(4) 0.0356(15) Uani 1 1 d . . .
C5 C 0.9480(4) 0.9523(3) 0.1827(4) 0.0411(16) Uani 1 1 d . . .
C6 C 0.8657(4) 0.9216(3) 0.1487(4) 0.0473(18) Uani 1 1 d . . .
C7 C 0.8617(4) 0.8632(3) 0.1506(4) 0.0382(15) Uani 1 1 d . . .
C8 C 0.9446(4) 0.8335(3) 0.1929(3) 0.0323(15) Uani 1 1 d . . .
C9 C 1.0258(4) 0.8604(3) 0.2259(4) 0.0352(15) Uani 1 1 d . . .
C10 C 1.1233(3) 0.8439(2) 0.2858(4) 0.0304(14) Uani 1 1 d . . .
C11 C 1.1735(3) 0.7946(2) 0.2624(4) 0.0318(14) Uani 1 1 d . . .
C12 C 1.2746(3) 0.7966(2) 0.3085(3) 0.0266(13) Uani 1 1 d . . .
C13 C 1.3281(3) 0.7458(2) 0.3224(3) 0.0280(14) Uani 1 1 d . . .
C14 C 1.4685(4) 0.6926(2) 0.3716(4) 0.0357(15) Uani 1 1 d . . .
H14A H 1.4415 0.6678 0.3224 0.043 Uiso 1 1 calc R . .
H14B H 1.4641 0.6732 0.4198 0.043 Uiso 1 1 calc R . .
C15 C 1.5704(3) 0.7049(2) 0.3892(4) 0.0323(14) Uani 1 1 d . . .
H15A H 1.6100 0.6735 0.4207 0.039 Uiso 1 1 calc R . .
H15B H 1.5785 0.7098 0.3365 0.039 Uiso 1 1 calc R . .
C16 C 1.6793(3) 0.7651(2) 0.4908(3) 0.0318(14) Uani 1 1 d . . .
C17 C 1.7063(3) 0.8161(2) 0.5367(3) 0.0277(13) Uani 1 1 d . . .
C18 C 1.7938(3) 0.8186(2) 0.6105(4) 0.0305(14) Uani 1 1 d . . .
C19 C 1.8372(3) 0.8778(2) 0.6302(3) 0.0303(14) Uani 1 1 d . . .
C20 C 1.9071(3) 0.8943(2) 0.7173(3) 0.0263(13) Uani 1 1 d . . .
C21 C 1.9936(3) 0.8740(2) 0.7683(3) 0.0282(13) Uani 1 1 d . . .
C22 C 2.0514(4) 0.9054(2) 0.8375(3) 0.0333(14) Uani 1 1 d . . .
C23 C 2.0170(3) 0.9544(2) 0.8555(4) 0.0319(14) Uani 1 1 d . . .
C24 C 1.9285(4) 0.9764(2) 0.8062(4) 0.0386(15) Uani 1 1 d . . .
C25 C 1.8800(3) 0.9452(2) 0.7385(4) 0.0324(14) Uani 1 1 d . . .
C26 C 1.7635(4) 0.9203(2) 0.6210(4) 0.0308(14) Uani 1 1 d . . .
C27 C 1.6775(3) 0.9165(2) 0.5655(3) 0.0289(13) Uani 1 1 d . . .
H27 H 1.6361 0.9469 0.5572 0.035 Uiso 1 1 calc R . .
C28 C 1.6476(3) 0.8642(2) 0.5169(3) 0.0286(13) Uani 1 1 d . . .
C29 C 0.9570(5) 1.0164(3) 0.1830(6) 0.083(3) Uani 1 1 d . . .
C30 C 0.9065(7) 1.0519(3) 0.2183(7) 0.134(4) Uani 1 1 d . . .
H30A H 0.9207 1.0915 0.2133 0.200 Uiso 1 1 calc R . .
H30B H 0.9245 1.0424 0.2771 0.200 Uiso 1 1 calc R . .
H30C H 0.8406 1.0456 0.1881 0.200 Uiso 1 1 calc R . .
C31 C 0.7360(4) 0.9588(3) 0.0337(4) 0.0491(17) Uani 1 1 d . . .
H31A H 0.7510 0.9266 0.0057 0.059 Uiso 1 1 calc R . .
H31B H 0.7540 0.9938 0.0134 0.059 Uiso 1 1 calc R . .
C32 C 0.6351(4) 0.9597(2) 0.0131(4) 0.0405(15) Uani 1 1 d . . .
C33 C 0.5772(5) 0.9637(3) -0.0706(4) 0.0537(18) Uani 1 1 d . . .
H33 H 0.6023 0.9674 -0.1112 0.064 Uiso 1 1 calc R . .
C34 C 0.4817(4) 0.9624(3) -0.0953(5) 0.0563(19) Uani 1 1 d . . .
H34 H 0.4421 0.9636 -0.1526 0.068 Uiso 1 1 calc R . .
C35 C 0.4481(4) 0.9594(3) -0.0388(6) 0.062(2) Uani 1 1 d . . .
H35 H 0.3834 0.9591 -0.0558 0.074 Uiso 1 1 calc R . .
C36 C 0.5017(4) 0.9568(3) 0.0428(5) 0.0500(18) Uani 1 1 d . . .
H36 H 0.4750 0.9545 0.0825 0.060 Uiso 1 1 calc R . .
C37 C 0.5958(4) 0.9574(3) 0.0688(4) 0.0461(17) Uani 1 1 d . . .
H37 H 0.6335 0.9561 0.1266 0.055 Uiso 1 1 calc R . .
C38 C 0.7704(4) 0.8330(3) 0.1151(4) 0.0551(19) Uani 1 1 d . . .
H38A H 0.7807 0.7923 0.1201 0.083 Uiso 1 1 calc R . .
H38B H 0.7380 0.8430 0.0563 0.083 Uiso 1 1 calc R . .
H38C H 0.7335 0.8441 0.1459 0.083 Uiso 1 1 calc R . .
C39 C 0.9245(4) 0.7416(3) 0.1352(4) 0.0466(17) Uani 1 1 d . . .
H39A H 0.9819 0.7383 0.1263 0.056 Uiso 1 1 calc R . .
H39B H 0.8769 0.7586 0.0850 0.056 Uiso 1 1 calc R . .
C40 C 0.8936(6) 0.6843(3) 0.1519(6) 0.067(2) Uani 1 1 d . . .
C41 C 0.8059(5) 0.6645(4) 0.1021(6) 0.095(3) Uani 1 1 d . . .
H41 H 0.7661 0.6865 0.0570 0.113 Uiso 1 1 calc R . .
C42 C 0.7768(7) 0.6115(4) 0.1193(8) 0.116(4) Uani 1 1 d . . .
H42 H 0.7183 0.5960 0.0870 0.140 Uiso 1 1 calc R . .
C43 C 0.8487(10) 0.5814(4) 0.1951(8) 0.112(4) Uani 1 1 d . . .
H43 H 0.8323 0.5477 0.2148 0.135 Uiso 1 1 calc R . .
C44 C 0.9246(8) 0.5996(5) 0.2296(10) 0.160(7) Uani 1 1 d . . .
H44 H 0.9698 0.5767 0.2696 0.192 Uiso 1 1 calc R . .
C45 C 0.9494(6) 0.6527(4) 0.2138(6) 0.079(3) Uani 1 1 d . . .
H45 H 1.0082 0.6670 0.2482 0.095 Uiso 1 1 calc R . .
C46 C 1.1256(4) 0.8286(3) 0.3735(4) 0.0487(17) Uani 1 1 d . . .
H46A H 1.0927 0.7933 0.3698 0.073 Uiso 1 1 calc R . .
H46B H 1.0963 0.8586 0.3923 0.073 Uiso 1 1 calc R . .
H46C H 1.1894 0.8244 0.4132 0.073 Uiso 1 1 calc R . .
C47 C 1.2798(4) 0.6899(2) 0.3006(4) 0.0384(16) Uani 1 1 d . . .
H47A H 1.3253 0.6597 0.3137 0.058 Uiso 1 1 calc R . .
H47B H 1.2404 0.6891 0.2411 0.058 Uiso 1 1 calc R . .
H47C H 1.2423 0.6846 0.3328 0.058 Uiso 1 1 calc R . .
C48 C 1.7508(3) 0.7219(2) 0.4965(4) 0.0341(14) Uani 1 1 d . . .
H48A H 1.7213 0.6896 0.4613 0.051 Uiso 1 1 calc R . .
H48B H 1.7821 0.7094 0.5543 0.051 Uiso 1 1 calc R . .
H48C H 1.7956 0.7385 0.4776 0.051 Uiso 1 1 calc R . .
C49 C 1.8791(4) 0.8880(2) 0.5659(4) 0.0390(15) Uani 1 1 d . . .
H49A H 1.9265 0.8598 0.5731 0.059 Uiso 1 1 calc R . .
H49B H 1.9064 0.9256 0.5740 0.059 Uiso 1 1 calc R . .
H49C H 1.8310 0.8852 0.5096 0.059 Uiso 1 1 calc R . .
C50 C 2.0307(4) 0.7769(2) 0.7951(4) 0.0395(16) Uani 1 1 d . . .
H50A H 1.9679 0.7634 0.7836 0.047 Uiso 1 1 calc R . .
H50B H 2.0612 0.7862 0.8549 0.047 Uiso 1 1 calc R . .
C51 C 2.0832(4) 0.7327(3) 0.7731(4) 0.0442(16) Uani 1 1 d . . .
C52 C 2.0463(5) 0.7072(3) 0.6972(5) 0.071(2) Uani 1 1 d . . .
H52 H 1.9841 0.7136 0.6610 0.085 Uiso 1 1 calc R . .
C53 C 2.1024(8) 0.6712(3) 0.6734(6) 0.105(3) Uani 1 1 d . . .
H53 H 2.0790 0.6538 0.6202 0.126 Uiso 1 1 calc R . .
C54 C 2.1943(8) 0.6613(4) 0.7304(9) 0.118(4) Uani 1 1 d . . .
H54 H 2.2329 0.6371 0.7156 0.141 Uiso 1 1 calc R . .
C55 C 2.2276(7) 0.6876(4) 0.8084(7) 0.102(3) Uani 1 1 d . . .
H55 H 2.2884 0.6809 0.8475 0.122 Uiso 1 1 calc R . .
C56 C 2.1732(4) 0.7217(3) 0.8263(5) 0.057(2) Uani 1 1 d . . .
H56 H 2.1969 0.7399 0.8789 0.068 Uiso 1 1 calc R . .
C57 C 2.1499(3) 0.8883(2) 0.8855(4) 0.0380(15) Uani 1 1 d . . .
H57A H 2.1615 0.8524 0.8640 0.057 Uiso 1 1 calc R . .
H57B H 2.1616 0.8842 0.9445 0.057 Uiso 1 1 calc R . .
H57C H 2.1906 0.9172 0.8791 0.057 Uiso 1 1 calc R . .
C58 C 2.0910(4) 0.9742(2) 1.0017(3) 0.0374(15) Uani 1 1 d . . .
H58A H 2.0937 0.9328 1.0077 0.045 Uiso 1 1 calc R . .
H58B H 2.0407 0.9885 1.0159 0.045 Uiso 1 1 calc R . .
C59 C 2.1826(4) 1.0007(2) 1.0587(4) 0.0310(14) Uani 1 1 d . . .
C60 C 2.2011(4) 1.0085(2) 1.1406(4) 0.0435(17) Uani 1 1 d . . .
H60 H 2.1563 0.9990 1.1615 0.052 Uiso 1 1 calc R . .
C61 C 2.2853(5) 1.0305(2) 1.1943(4) 0.0542(19) Uani 1 1 d . . .
H61 H 2.2981 1.0352 1.2516 0.065 Uiso 1 1 calc R . .
C62 C 2.3494(5) 1.0453(3) 1.1640(5) 0.064(2) Uani 1 1 d . . .
H62 H 2.4066 1.0607 1.2001 0.077 Uiso 1 1 calc R . .
C63 C 2.3307(4) 1.0379(3) 1.0823(5) 0.058(2) Uani 1 1 d . . .
H63 H 2.3745 1.0483 1.0608 0.069 Uiso 1 1 calc R . .
C64 C 2.2491(4) 1.0155(2) 1.0312(4) 0.0426(16) Uani 1 1 d . . .
H64 H 2.2376 1.0100 0.9743 0.051 Uiso 1 1 calc R . .
C65 C 1.8946(4) 1.0295(3) 0.8326(5) 0.057(2) Uani 1 1 d . . .
C66 C 1.8540(5) 1.0743(3) 0.7692(5) 0.078(3) Uani 1 1 d . . .
H66A H 1.8359 1.1062 0.7946 0.117 Uiso 1 1 calc R . .
H66B H 1.8000 1.0595 0.7232 0.117 Uiso 1 1 calc R . .
H66C H 1.8994 1.0868 0.7480 0.117 Uiso 1 1 calc R . .
Ni2 Ni 1.01882(4) 0.75767(3) 0.98853(4) 0.02969(18) Uani 1 1 d . . .
O101 O 0.9415(2) 0.81862(14) 0.9688(2) 0.0306(9) Uani 1 1 d . . .
O102 O 0.7039(2) 0.94003(14) 0.8112(2) 0.0325(9) Uani 1 1 d . . .
O103 O 0.6015(3) 1.05940(16) 0.6415(3) 0.0466(11) Uani 1 1 d . . .
O104 O 0.4301(2) 0.99585(14) 0.5756(2) 0.0331(9) Uani 1 1 d . . .
O105 O 0.4856(2) 0.80286(15) 0.6677(2) 0.0313(9) Uani 1 1 d . . .
O106 O 0.6807(2) 0.75554(16) 0.7420(2) 0.0371(9) Uani 1 1 d . . .
O107 O 1.3819(2) 0.70436(16) 1.1658(2) 0.0378(10) Uani 1 1 d . . .
O108 O 1.5711(2) 0.72948(16) 1.1839(2) 0.0344(10) Uani 1 1 d . . .
O109 O 1.7255(2) 0.89104(15) 1.3471(2) 0.0325(9) Uani 1 1 d . . .
O110 O 1.6091(3) 0.99188(16) 1.2684(3) 0.0454(11) Uani 1 1 d . . .
O111 O 1.4001(2) 0.89227(14) 1.1816(2) 0.0335(10) Uani 1 1 d . . .
O112 O 1.1099(2) 0.80945(15) 1.0389(2) 0.0342(9) Uani 1 1 d . . .
N101 N 0.9227(3) 0.70805(17) 0.9362(3) 0.0252(11) Uani 1 1 d . . .
N102 N 1.0986(3) 0.69733(18) 1.0061(3) 0.0296(11) Uani 1 1 d . . .
C101 C 0.8593(4) 0.8217(2) 0.9139(3) 0.0279(13) Uani 1 1 d . . .
C102 C 0.8251(4) 0.8803(2) 0.8948(4) 0.0307(14) Uani 1 1 d . . .
H102 H 0.8643 0.9113 0.9186 0.037 Uiso 1 1 calc R . .
C103 C 0.7379(4) 0.8880(2) 0.8434(3) 0.0272(13) Uani 1 1 d . . .
C104 C 0.6215(4) 0.9296(2) 0.7425(4) 0.0324(14) Uani 1 1 d . . .
C105 C 0.5710(3) 0.9727(2) 0.6894(3) 0.0279(13) Uani 1 1 d . . .
C106 C 0.4886(3) 0.9541(2) 0.6260(4) 0.0332(14) Uani 1 1 d . . .
C107 C 0.4586(3) 0.8989(2) 0.6153(3) 0.0253(13) Uani 1 1 d . . .
C108 C 0.5154(3) 0.8580(2) 0.6695(3) 0.0274(13) Uani 1 1 d . . .
C109 C 0.6001(3) 0.8733(2) 0.7329(3) 0.0255(13) Uani 1 1 d . . .
C110 C 0.6696(3) 0.8428(2) 0.8071(3) 0.0239(12) Uani 1 1 d . . .
C111 C 0.7185(3) 0.7883(2) 0.8008(4) 0.0311(14) Uani 1 1 d . . .
C112 C 0.8069(3) 0.7769(2) 0.8686(3) 0.0267(13) Uani 1 1 d . . .
C113 C 0.8377(4) 0.7191(2) 0.8911(3) 0.0263(13) Uani 1 1 d . . .
C114 C 0.9542(3) 0.6492(2) 0.9605(4) 0.0319(14) Uani 1 1 d . . .
H11A H 0.9135 0.6222 0.9192 0.038 Uiso 1 1 calc R . .
H11B H 0.9544 0.6402 1.0157 0.038 Uiso 1 1 calc R . .
C115 C 1.0490(3) 0.6464(2) 0.9631(3) 0.0323(14) Uani 1 1 d . . .
H11C H 1.0806 0.6123 0.9934 0.039 Uiso 1 1 calc R . .
H11D H 1.0468 0.6448 0.9059 0.039 Uiso 1 1 calc R . .
C116 C 1.1884(4) 0.6979(2) 1.0398(3) 0.0307(14) Uani 1 1 d . . .
C117 C 1.2402(3) 0.7481(2) 1.0770(3) 0.0289(14) Uani 1 1 d . . .
C118 C 1.3409(3) 0.7460(2) 1.1265(3) 0.0293(14) Uani 1 1 d . . .
C119 C 1.3917(3) 0.7999(2) 1.1222(3) 0.0294(13) Uani 1 1 d . . .
C120 C 1.4875(3) 0.8117(2) 1.1874(3) 0.0318(14) Uani 1 1 d . . .
C121 C 1.5716(4) 0.7834(2) 1.2110(3) 0.0287(14) Uani 1 1 d . . .
C122 C 1.6522(3) 0.8090(3) 1.2671(3) 0.0311(13) Uani 1 1 d . . .
C123 C 1.6474(4) 0.8645(2) 1.2903(3) 0.0322(14) Uani 1 1 d . . .
C124 C 1.5681(4) 0.8955(2) 1.2641(4) 0.0370(15) Uani 1 1 d . . .
C125 C 1.4868(4) 0.8662(2) 1.2142(3) 0.0349(14) Uani 1 1 d . . .
C126 C 1.3403(4) 0.8492(2) 1.1356(3) 0.0321(14) Uani 1 1 d . . .
C127 C 1.2497(4) 0.8515(2) 1.1126(3) 0.0345(15) Uani 1 1 d . . .
H127 H 1.2210 0.8841 1.1224 0.041 Uiso 1 1 calc R . .
C128 C 1.1960(4) 0.8018(2) 1.0719(3) 0.0306(13) Uani 1 1 d . . .
C129 C 0.6009(3) 1.0335(2) 0.6992(4) 0.0339(15) Uani 1 1 d . . .
C130 C 0.6296(4) 1.0596(2) 0.7841(4) 0.0471(17) Uani 1 1 d . . .
H13A H 0.6465 1.0990 0.7817 0.071 Uiso 1 1 calc R . .
H13B H 0.6823 1.0391 0.8238 0.071 Uiso 1 1 calc R . .
H13C H 0.5785 1.0578 0.8019 0.071 Uiso 1 1 calc R . .
C131 C 0.4371(3) 1.0022(2) 0.4958(3) 0.0317(14) Uani 1 1 d . . .
H13D H 0.4268 0.9655 0.4669 0.038 Uiso 1 1 calc R . .
H13E H 0.4991 1.0157 0.5043 0.038 Uiso 1 1 calc R . .
C132 C 0.3660(4) 1.0439(2) 0.4440(4) 0.0333(14) Uani 1 1 d . . .
C133 C 0.3929(4) 1.0936(2) 0.4210(3) 0.0345(15) Uani 1 1 d . . .
H133 H 0.4563 1.1015 0.4374 0.041 Uiso 1 1 calc R . .
C134 C 0.3270(4) 1.1332(3) 0.3732(4) 0.0431(16) Uani 1 1 d . . .
H134 H 0.3454 1.1680 0.3581 0.052 Uiso 1 1 calc R . .
C135 C 0.2354(4) 1.1207(3) 0.3486(4) 0.0499(18) Uani 1 1 d . . .
H135 H 0.1905 1.1464 0.3145 0.060 Uiso 1 1 calc R . .
C136 C 0.2084(4) 1.0718(3) 0.3725(5) 0.062(2) Uani 1 1 d . . .
H136 H 0.1452 1.0635 0.3563 0.075 Uiso 1 1 calc R . .
C137 C 0.2744(4) 1.0347(3) 0.4204(4) 0.0515(18) Uani 1 1 d . . .
H137 H 0.2554 1.0010 0.4380 0.062 Uiso 1 1 calc R . .
C138 C 0.3630(4) 0.8832(2) 0.5521(4) 0.0444(17) Uani 1 1 d . . .
H13F H 0.3545 0.8425 0.5529 0.067 Uiso 1 1 calc R . .
H13G H 0.3564 0.8949 0.4964 0.067 Uiso 1 1 calc R . .
H13H H 0.3166 0.9023 0.5664 0.067 Uiso 1 1 calc R . .
C139 C 0.4857(3) 0.7706(2) 0.5975(4) 0.0330(14) Uani 1 1 d . . .
H13I H 0.5494 0.7639 0.6034 0.040 Uiso 1 1 calc R . .
H13J H 0.4528 0.7914 0.5451 0.040 Uiso 1 1 calc R . .
C140 C 0.4388(4) 0.7159(2) 0.5964(4) 0.0307(14) Uani 1 1 d . . .
C141 C 0.3656(4) 0.6984(3) 0.5263(4) 0.0490(18) Uani 1 1 d . . .
H141 H 0.3419 0.7223 0.4790 0.059 Uiso 1 1 calc R . .
C142 C 0.3254(4) 0.6449(3) 0.5245(5) 0.062(2) Uani 1 1 d . . .
H142 H 0.2795 0.6311 0.4743 0.074 Uiso 1 1 calc R . .
C143 C 0.3533(4) 0.6134(3) 0.5955(5) 0.0485(18) Uani 1 1 d . . .
H143 H 0.3233 0.5788 0.5950 0.058 Uiso 1 1 calc R . .
C144 C 0.4218(4) 0.6302(2) 0.6655(4) 0.0449(16) Uani 1 1 d . . .
H144 H 0.4402 0.6080 0.7145 0.054 Uiso 1 1 calc R . .
C145 C 0.4656(4) 0.6807(2) 0.6653(4) 0.0399(16) Uani 1 1 d . . .
H145 H 0.5161 0.6916 0.7144 0.048 Uiso 1 1 calc R . .
C146 C 0.6193(3) 0.8263(2) 0.8662(3) 0.0359(15) Uani 1 1 d . . .
H14C H 0.5744 0.7965 0.8398 0.054 Uiso 1 1 calc R . .
H14D H 0.5878 0.8593 0.8755 0.054 Uiso 1 1 calc R . .
H14E H 0.6646 0.8128 0.9196 0.054 Uiso 1 1 calc R . .
C147 C 0.7684(3) 0.6717(2) 0.8641(3) 0.0321(14) Uani 1 1 d . . .
H14F H 0.7998 0.6358 0.8838 0.048 Uiso 1 1 calc R . .
H14G H 0.7379 0.6711 0.8032 0.048 Uiso 1 1 calc R . .
H14H H 0.7227 0.6775 0.8877 0.048 Uiso 1 1 calc R . .
C148 C 1.2382(4) 0.6448(2) 1.0313(4) 0.0406(16) Uani 1 1 d . . .
H14I H 1.1934 0.6150 1.0053 0.061 Uiso 1 1 calc R . .
H14J H 1.2810 0.6325 1.0865 0.061 Uiso 1 1 calc R . .
H14K H 1.2722 0.6529 0.9966 0.061 Uiso 1 1 calc R . .
C149 C 1.3928(3) 0.8026(2) 1.0324(3) 0.0334(13) Uani 1 1 d . . .
H14L H 1.3309 0.7955 0.9905 0.050 Uiso 1 1 calc R . .
H14M H 1.4349 0.7740 1.0278 0.050 Uiso 1 1 calc R . .
H14N H 1.4132 0.8399 1.0234 0.050 Uiso 1 1 calc R . .
C150 C 1.6158(4) 0.7224(3) 1.1282(4) 0.059(2) Uani 1 1 d . . .
H15C H 1.6766 0.7049 1.1584 0.071 Uiso 1 1 calc R . .
H15D H 1.6255 0.7596 1.1079 0.071 Uiso 1 1 calc R . .
C151 C 1.5599(4) 0.6857(2) 1.0545(4) 0.0393(16) Uani 1 1 d . . .
C152 C 1.5601(5) 0.6955(3) 0.9757(5) 0.058(2) Uani 1 1 d . . .
H152 H 1.5949 0.7260 0.9685 0.069 Uiso 1 1 calc R . .
C153 C 1.5119(5) 0.6626(4) 0.9095(5) 0.064(2) Uani 1 1 d . . .
H153 H 1.5138 0.6701 0.8570 0.077 Uiso 1 1 calc R . .
C154 C 1.4611(4) 0.6191(3) 0.9175(5) 0.0547(19) Uani 1 1 d . . .
H154 H 1.4263 0.5964 0.8708 0.066 Uiso 1 1 calc R . .
C155 C 1.4608(4) 0.6084(3) 0.9935(5) 0.0533(19) Uani 1 1 d . . .
H155 H 1.4271 0.5775 1.0009 0.064 Uiso 1 1 calc R . .
C156 C 1.5100(4) 0.6430(3) 1.0605(4) 0.0438(16) Uani 1 1 d . . .
H156 H 1.5076 0.6355 1.1128 0.053 Uiso 1 1 calc R . .
C157 C 1.7390(4) 0.7770(2) 1.3034(4) 0.0372(14) Uani 1 1 d . . .
H15E H 1.7294 0.7390 1.2800 0.056 Uiso 1 1 calc R . .
H15F H 1.7587 0.7748 1.3639 0.056 Uiso 1 1 calc R . .
H15G H 1.7862 0.7960 1.2903 0.056 Uiso 1 1 calc R . .
C158 C 1.7869(4) 0.9112(3) 1.3110(4) 0.0439(16) Uani 1 1 d . . .
H15H H 1.7516 0.9318 1.2589 0.053 Uiso 1 1 calc R . .
H15I H 1.8174 0.8789 1.2971 0.053 Uiso 1 1 calc R . .
C159 C 1.8583(4) 0.9495(2) 1.3704(4) 0.0347(15) Uani 1 1 d . . .
C160 C 1.9482(4) 0.9361(3) 1.3970(4) 0.057(2) Uani 1 1 d . . .
H160 H 1.9650 0.9024 1.3776 0.068 Uiso 1 1 calc R . .
C161 C 2.0157(5) 0.9697(4) 1.4511(5) 0.086(3) Uani 1 1 d . . .
H161 H 2.0783 0.9598 1.4678 0.103 Uiso 1 1 calc R . .
C162 C 1.9926(5) 1.0164(4) 1.4802(5) 0.074(3) Uani 1 1 d . . .
H162 H 2.0387 1.0394 1.5191 0.088 Uiso 1 1 calc R . .
C163 C 1.9062(6) 1.0304(3) 1.4549(5) 0.084(3) Uani 1 1 d . . .
H163 H 1.8904 1.0644 1.4744 0.100 Uiso 1 1 calc R . .
C164 C 1.8367(5) 0.9966(3) 1.3998(4) 0.068(2) Uani 1 1 d . . .
H164 H 1.7743 1.0071 1.3834 0.081 Uiso 1 1 calc R . .
C165 C 1.5654(3) 0.9576(2) 1.2880(3) 0.0292(13) Uani 1 1 d . . .
C166 C 1.5089(4) 0.9720(2) 1.3339(4) 0.0404(16) Uani 1 1 d . . .
H16A H 1.5126 1.0125 1.3448 0.061 Uiso 1 1 calc R . .
H16B H 1.5313 0.9515 1.3868 0.061 Uiso 1 1 calc R . .
H16C H 1.4451 0.9615 1.3008 0.061 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Cl3 C201 Cl1 115.2(6) . . ?
Cl3 C201 Cl2 106.4(5) . . ?
Cl1 C201 Cl2 108.7(5) . . ?
Cl3 C201 H201 108.8 . . ?
Cl1 C201 H201 108.8 . . ?
Cl2 C201 H201 108.8 . . ?
Cl6 C202 Cl5 110.9(6) . . ?
Cl6 C202 Cl4 111.5(6) . . ?
Cl5 C202 Cl4 110.8(6) . . ?
Cl6 C202 H202 107.8 . . ?
Cl5 C202 H202 107.8 . . ?
Cl4 C202 H202 107.8 . . ?
Cl9 C203 Cl8 123.2(9) . . ?
Cl9 C203 Cl7 114.3(9) . . ?
Cl8 C203 Cl7 110.6(7) . . ?
Cl9 C203 H203 101.6 . . ?
Cl8 C203 H203 101.6 . . ?
Cl7 C203 H203 101.6 . . ?
O1 Ni1 O12 84.03(15) . . ?
O1 Ni1 N2 175.72(18) . . ?
O12 Ni1 N2 93.03(17) . . ?
O1 Ni1 N1 93.78(16) . . ?
O12 Ni1 N1 174.49(19) . . ?
N2 Ni1 N1 89.42(19) . . ?
C1 O1 Ni1 128.5(3) . . ?
C3 O2 C4 105.3(4) . . ?
C31 O4 C6 117.5(5) . . ?
C8 O5 C39 112.8(4) . . ?
C21 O8 C50 113.5(4) . . ?
C23 O9 C58 116.2(4) . . ?
C26 O11 C25 105.8(4) . . ?
C28 O12 Ni1 127.5(3) . . ?
C13 N1 C14 119.5(4) . . ?
C13 N1 Ni1 128.2(4) . . ?
C14 N1 Ni1 111.4(3) . . ?
C16 N2 C15 119.1(4) . . ?
C16 N2 Ni1 129.6(4) . . ?
C15 N2 Ni1 110.9(3) . . ?
O1 C1 C12 124.7(5) . . ?
O1 C1 C2 113.7(5) . . ?
C12 C1 C2 121.5(5) . . ?
C3 C2 C1 118.5(5) . . ?
C3 C2 H2 120.8 . . ?
C1 C2 H2 120.8 . . ?
C2 C3 O2 124.4(5) . . ?
C2 C3 C10 124.0(5) . . ?
O2 C3 C10 111.5(4) . . ?
O2 C4 C9 114.7(5) . . ?
O2 C4 C5 121.9(5) . . ?
C9 C4 C5 123.3(5) . . ?
C6 C5 C4 114.7(6) . . ?
C6 C5 C29 126.0(5) . . ?
C4 C5 C29 119.4(5) . . ?
C7 C6 C5 123.4(5) . . ?
C7 C6 O4 121.0(5) . . ?
C5 C6 O4 115.3(6) . . ?
C6 C7 C8 118.0(5) . . ?
C6 C7 C38 120.6(5) . . ?
C8 C7 C38 121.2(6) . . ?
C9 C8 O5 120.1(5) . . ?
C9 C8 C7 121.3(6) . . ?
O5 C8 C7 118.2(5) . . ?
C8 C9 C4 119.3(5) . . ?
C8 C9 C10 134.8(5) . . ?
C4 C9 C10 104.7(5) . . ?
C3 C10 C9 100.8(4) . . ?
C3 C10 C11 109.9(4) . . ?
C9 C10 C11 119.6(5) . . ?
C3 C10 C46 110.3(5) . . ?
C9 C10 C46 110.6(4) . . ?
C11 C10 C46 105.6(4) . . ?
O6 C11 C12 126.1(5) . . ?
O6 C11 C10 120.9(4) . . ?
C12 C11 C10 112.8(4) . . ?
C1 C12 C13 121.7(4) . . ?
C1 C12 C11 118.0(5) . . ?
C13 C12 C11 120.2(5) . . ?
N1 C13 C12 122.4(5) . . ?
N1 C13 C47 118.2(5) . . ?
C12 C13 C47 119.3(4) . . ?
N1 C14 C15 108.7(4) . . ?
N1 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
N1 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
N2 C15 C14 106.3(4) . . ?
N2 C15 H15A 110.5 . . ?
C14 C15 H15A 110.5 . . ?
N2 C15 H15B 110.5 . . ?
C14 C15 H15B 110.5 . . ?
H15A C15 H15B 108.7 . . ?
N2 C16 C17 121.0(5) . . ?
N2 C16 C48 119.2(5) . . ?
C17 C16 C48 119.6(5) . . ?
C16 C17 C28 121.6(4) . . ?
C16 C17 C18 119.7(4) . . ?
C28 C17 C18 118.5(5) . . ?
O7 C18 C17 125.2(5) . . ?
O7 C18 C19 120.2(5) . . ?
C17 C18 C19 114.4(5) . . ?
C26 C19 C20 99.1(4) . . ?
C26 C19 C49 111.2(5) . . ?
C20 C19 C49 109.5(4) . . ?
C26 C19 C18 109.2(4) . . ?
C20 C19 C18 122.3(5) . . ?
C49 C19 C18 105.4(4) . . ?
C25 C20 C21 117.6(5) . . ?
C25 C20 C19 108.1(4) . . ?
C21 C20 C19 133.3(5) . . ?
O8 C21 C20 119.3(5) . . ?
O8 C21 C22 119.7(5) . . ?
C20 C21 C22 120.4(5) . . ?
C23 C22 C21 117.7(5) . . ?
C23 C22 C57 121.3(5) . . ?
C21 C22 C57 120.8(5) . . ?
C22 C23 O9 118.8(4) . . ?
C22 C23 C24 123.8(5) . . ?
O9 C23 C24 116.8(5) . . ?
C25 C24 C23 114.3(5) . . ?
C25 C24 C65 125.3(5) . . ?
C23 C24 C65 120.3(5) . . ?
C24 C25 C20 125.9(5) . . ?
C24 C25 O11 122.0(5) . . ?
C20 C25 O11 112.0(5) . . ?
C27 C26 O11 123.3(5) . . ?
C27 C26 C19 124.2(5) . . ?
O11 C26 C19 112.5(4) . . ?
C26 C27 C28 118.7(5) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
O12 C28 C17 124.8(5) . . ?
O12 C28 C27 114.8(5) . . ?
C17 C28 C27 120.4(4) . . ?
O3 C29 C30 119.0(8) . . ?
O3 C29 C5 120.1(6) . . ?
C30 C29 C5 120.7(6) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O4 C31 C32 109.9(5) . . ?
O4 C31 H31A 109.7 . . ?
C32 C31 H31A 109.7 . . ?
O4 C31 H31B 109.7 . . ?
C32 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C37 C32 C33 117.5(6) . . ?
C37 C32 C31 125.7(6) . . ?
C33 C32 C31 116.8(6) . . ?
C32 C33 C34 120.3(6) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C35 C34 C33 119.3(7) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C36 122.2(6) . . ?
C34 C35 H35 118.9 . . ?
C36 C35 H35 118.9 . . ?
C35 C36 C37 119.7(6) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C32 C37 C36 120.9(6) . . ?
C32 C37 H37 119.5 . . ?
C36 C37 H37 119.5 . . ?
C7 C38 H38A 109.5 . . ?
C7 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C7 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O5 C39 C40 107.1(5) . . ?
O5 C39 H39A 110.3 . . ?
C40 C39 H39A 110.3 . . ?
O5 C39 H39B 110.3 . . ?
C40 C39 H39B 110.3 . . ?
H39A C39 H39B 108.6 . . ?
C45 C40 C41 119.6(9) . . ?
C45 C40 C39 120.3(7) . . ?
C41 C40 C39 120.1(8) . . ?
C40 C41 C42 119.8(10) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 H41 120.1 . . ?
C41 C42 C43 113.8(9) . . ?
C41 C42 H42 123.1 . . ?
C43 C42 H42 123.1 . . ?
C44 C43 C42 121.3(12) . . ?
C44 C43 H43 119.3 . . ?
C42 C43 H43 119.3 . . ?
C43 C44 C45 122.7(14) . . ?
C43 C44 H44 118.6 . . ?
C45 C44 H44 118.6 . . ?
C40 C45 C44 121.9(10) . . ?
C40 C45 H45 119.0 . . ?
C44 C45 H45 119.0 . . ?
C10 C46 H46A 109.5 . . ?
C10 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C10 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C13 C47 H47A 109.5 . . ?
C13 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C13 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C16 C48 H48A 109.5 . . ?
C16 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C16 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C19 C49 H49A 109.5 . . ?
C19 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C19 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O8 C50 C51 107.6(5) . . ?
O8 C50 H50A 110.2 . . ?
C51 C50 H50A 110.2 . . ?
O8 C50 H50B 110.2 . . ?
C51 C50 H50B 110.2 . . ?
H50A C50 H50B 108.5 . . ?
C52 C51 C56 120.0(6) . . ?
C52 C51 C50 120.0(6) . . ?
C56 C51 C50 119.7(6) . . ?
C51 C52 C53 118.7(8) . . ?
C51 C52 H52 120.7 . . ?
C53 C52 H52 120.7 . . ?
C52 C53 C54 119.0(8) . . ?
C52 C53 H53 120.5 . . ?
C54 C53 H53 120.5 . . ?
C55 C54 C53 119.6(9) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C56 C55 C54 118.7(9) . . ?
C56 C55 H55 120.6 . . ?
C54 C55 H55 120.6 . . ?
C55 C56 C51 123.9(8) . . ?
C55 C56 H56 118.1 . . ?
C51 C56 H56 118.1 . . ?
C22 C57 H57A 109.5 . . ?
C22 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C22 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
O9 C58 C59 106.6(4) . . ?
O9 C58 H58A 110.4 . . ?
C59 C58 H58A 110.4 . . ?
O9 C58 H58B 110.4 . . ?
C59 C58 H58B 110.4 . . ?
H58A C58 H58B 108.6 . . ?
C60 C59 C64 117.6(5) . . ?
C60 C59 C58 119.6(5) . . ?
C64 C59 C58 122.8(5) . . ?
C59 C60 C61 120.6(7) . . ?
C59 C60 H60 119.7 . . ?
C61 C60 H60 119.7 . . ?
C62 C61 C60 119.9(7) . . ?
C62 C61 H61 120.1 . . ?
C60 C61 H61 120.1 . . ?
C63 C62 C61 119.5(7) . . ?
C63 C62 H62 120.3 . . ?
C61 C62 H62 120.3 . . ?
C62 C63 C64 119.9(7) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
C63 C64 C59 122.5(6) . . ?
C63 C64 H64 118.7 . . ?
C59 C64 H64 118.7 . . ?
O10 C65 C66 122.6(7) . . ?
O10 C65 C24 119.3(7) . . ?
C66 C65 C24 118.0(7) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
O112 Ni2 O101 84.35(15) . . ?
O112 Ni2 N102 94.76(17) . . ?
O101 Ni2 N102 178.01(19) . . ?
O112 Ni2 N101 177.29(17) . . ?
O101 Ni2 N101 92.94(16) . . ?
N102 Ni2 N101 87.95(18) . . ?
C101 O101 Ni2 126.2(3) . . ?
C103 O102 C104 105.8(4) . . ?
C106 O104 C131 113.2(4) . . ?
C108 O105 C139 113.7(4) . . ?
C121 O108 C150 114.5(4) . . ?
C123 O109 C158 113.9(4) . . ?
C125 O111 C126 103.8(4) . . ?
C128 O112 Ni2 128.6(4) . . ?
C113 N101 C114 121.1(4) . . ?
C113 N101 Ni2 128.8(4) . . ?
C114 N101 Ni2 109.8(3) . . ?
C116 N102 C115 120.2(4) . . ?
C116 N102 Ni2 128.1(4) . . ?
C115 N102 Ni2 111.0(3) . . ?
O101 C101 C112 125.9(5) . . ?
O101 C101 C102 113.3(5) . . ?
C112 C101 C102 120.5(5) . . ?
C103 C102 C101 118.1(5) . . ?
C103 C102 H102 120.9 . . ?
C101 C102 H102 120.9 . . ?
C102 C103 O102 122.3(4) . . ?
C102 C103 C110 125.4(5) . . ?
O102 C103 C110 112.0(4) . . ?
C109 C104 C105 125.6(5) . . ?
C109 C104 O102 112.2(5) . . ?
C105 C104 O102 122.2(5) . . ?
C104 C105 C106 113.6(5) . . ?
C104 C105 C129 123.6(5) . . ?
C106 C105 C129 122.8(5) . . ?
C107 C106 O104 118.6(5) . . ?
C107 C106 C105 124.6(5) . . ?
O104 C106 C105 116.5(5) . . ?
C106 C107 C108 118.0(5) . . ?
C106 C107 C138 121.3(5) . . ?
C108 C107 C138 120.4(5) . . ?
O105 C108 C107 121.0(4) . . ?
O105 C108 C109 118.0(4) . . ?
C107 C108 C109 120.6(5) . . ?
C104 C109 C108 117.3(5) . . ?
C104 C109 C110 107.5(4) . . ?
C108 C109 C110 134.0(5) . . ?
C103 C110 C109 100.5(4) . . ?
C103 C110 C111 109.7(4) . . ?
C109 C110 C111 123.9(5) . . ?
C103 C110 C146 112.0(4) . . ?
C109 C110 C146 107.0(4) . . ?
C111 C110 C146 103.8(4) . . ?
O106 C111 C112 123.4(5) . . ?
O106 C111 C110 119.9(4) . . ?
C112 C111 C110 116.6(5) . . ?
C101 C112 C111 119.1(5) . . ?
C101 C112 C113 120.4(5) . . ?
C111 C112 C113 120.4(4) . . ?
N101 C113 C112 120.9(5) . . ?
N101 C113 C147 119.5(5) . . ?
C112 C113 C147 119.5(5) . . ?
N101 C114 C115 105.7(4) . . ?
N101 C114 H11A 110.6 . . ?
C115 C114 H11A 110.6 . . ?
N101 C114 H11B 110.6 . . ?
C115 C114 H11B 110.6 . . ?
H11A C114 H11B 108.7 . . ?
N102 C115 C114 107.9(4) . . ?
N102 C115 H11C 110.1 . . ?
C114 C115 H11C 110.1 . . ?
N102 C115 H11D 110.1 . . ?
C114 C115 H11D 110.1 . . ?
H11C C115 H11D 108.4 . . ?
N102 C116 C117 122.2(5) . . ?
N102 C116 C148 117.5(5) . . ?
C117 C116 C148 120.0(5) . . ?
C128 C117 C116 121.7(4) . . ?
C128 C117 C118 116.7(4) . . ?
C116 C117 C118 121.4(5) . . ?
O107 C118 C117 124.0(5) . . ?
O107 C118 C119 121.8(4) . . ?
C117 C118 C119 114.2(4) . . ?
C126 C119 C120 100.6(4) . . ?
C126 C119 C118 108.3(4) . . ?
C120 C119 C118 120.4(4) . . ?
C126 C119 C149 110.3(4) . . ?
C120 C119 C149 109.5(4) . . ?
C118 C119 C149 107.3(4) . . ?
C125 C120 C121 119.1(5) . . ?
C125 C120 C119 106.7(5) . . ?
C121 C120 C119 133.1(5) . . ?
O108 C121 C120 118.4(5) . . ?
O108 C121 C122 121.9(5) . . ?
C120 C121 C122 119.5(5) . . ?
C123 C122 C121 118.3(5) . . ?
C123 C122 C157 120.9(5) . . ?
C121 C122 C157 120.7(5) . . ?
C124 C123 C122 124.2(5) . . ?
C124 C123 O109 115.7(5) . . ?
C122 C123 O109 120.0(5) . . ?
C123 C124 C125 115.6(5) . . ?
C123 C124 C165 123.1(5) . . ?
C125 C124 C165 121.3(5) . . ?
C120 C125 O111 114.5(4) . . ?
C120 C125 C124 122.8(5) . . ?
O111 C125 C124 122.5(5) . . ?
C127 C126 O111 122.9(5) . . ?
C127 C126 C119 125.1(5) . . ?
O111 C126 C119 111.8(4) . . ?
C126 C127 C128 117.6(5) . . ?
C126 C127 H127 121.2 . . ?
C128 C127 H127 121.2 . . ?
O112 C128 C117 124.4(5) . . ?
O112 C128 C127 114.8(5) . . ?
C117 C128 C127 120.6(5) . . ?
O103 C129 C130 121.6(5) . . ?
O103 C129 C105 120.7(6) . . ?
C130 C129 C105 117.7(5) . . ?
C129 C130 H13A 109.5 . . ?
C129 C130 H13B 109.5 . . ?
H13A C130 H13B 109.5 . . ?
C129 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
O104 C131 C132 108.8(4) . . ?
O104 C131 H13D 109.9 . . ?
C132 C131 H13D 109.9 . . ?
O104 C131 H13E 109.9 . . ?
C132 C131 H13E 109.9 . . ?
H13D C131 H13E 108.3 . . ?
C137 C132 C133 118.1(5) . . ?
C137 C132 C131 122.1(5) . . ?
C133 C132 C131 119.8(5) . . ?
C132 C133 C134 120.3(5) . . ?
C132 C133 H133 119.9 . . ?
C134 C133 H133 119.9 . . ?
C135 C134 C133 119.0(6) . . ?
C135 C134 H134 120.5 . . ?
C133 C134 H134 120.5 . . ?
C136 C135 C134 120.8(6) . . ?
C136 C135 H135 119.6 . . ?
C134 C135 H135 119.6 . . ?
C135 C136 C137 118.6(6) . . ?
C135 C136 H136 120.7 . . ?
C137 C136 H136 120.7 . . ?
C132 C137 C136 123.1(6) . . ?
C132 C137 H137 118.5 . . ?
C136 C137 H137 118.5 . . ?
C107 C138 H13F 109.5 . . ?
C107 C138 H13G 109.5 . . ?
H13F C138 H13G 109.5 . . ?
C107 C138 H13H 109.5 . . ?
H13F C138 H13H 109.5 . . ?
H13G C138 H13H 109.5 . . ?
O105 C139 C140 107.5(4) . . ?
O105 C139 H13I 110.2 . . ?
C140 C139 H13I 110.2 . . ?
O105 C139 H13J 110.2 . . ?
C140 C139 H13J 110.2 . . ?
H13I C139 H13J 108.5 . . ?
C141 C140 C145 116.7(5) . . ?
C141 C140 C139 120.9(5) . . ?
C145 C140 C139 122.3(5) . . ?
C140 C141 C142 120.3(6) . . ?
C140 C141 H141 119.9 . . ?
C142 C141 H141 119.9 . . ?
C143 C142 C141 119.4(6) . . ?
C143 C142 H142 120.3 . . ?
C141 C142 H142 120.3 . . ?
C144 C143 C142 121.5(6) . . ?
C144 C143 H143 119.2 . . ?
C142 C143 H143 119.2 . . ?
C143 C144 C145 118.7(6) . . ?
C143 C144 H144 120.6 . . ?
C145 C144 H144 120.6 . . ?
C144 C145 C140 122.9(6) . . ?
C144 C145 H145 118.5 . . ?
C140 C145 H145 118.5 . . ?
C110 C146 H14C 109.5 . . ?
C110 C146 H14D 109.5 . . ?
H14C C146 H14D 109.5 . . ?
C110 C146 H14E 109.5 . . ?
H14C C146 H14E 109.5 . . ?
H14D C146 H14E 109.5 . . ?
C113 C147 H14F 109.5 . . ?
C113 C147 H14G 109.5 . . ?
H14F C147 H14G 109.5 . . ?
C113 C147 H14H 109.5 . . ?
H14F C147 H14H 109.5 . . ?
H14G C147 H14H 109.5 . . ?
C116 C148 H14I 109.5 . . ?
C116 C148 H14J 109.5 . . ?
H14I C148 H14J 109.5 . . ?
C116 C148 H14K 109.5 . . ?
H14I C148 H14K 109.5 . . ?
H14J C148 H14K 109.5 . . ?
C119 C149 H14L 109.5 . . ?
C119 C149 H14M 109.5 . . ?
H14L C149 H14M 109.5 . . ?
C119 C149 H14N 109.5 . . ?
H14L C149 H14N 109.5 . . ?
H14M C149 H14N 109.5 . . ?
O108 C150 C151 111.6(4) . . ?
O108 C150 H15C 109.3 . . ?
C151 C150 H15C 109.3 . . ?
O108 C150 H15D 109.3 . . ?
C151 C150 H15D 109.3 . . ?
H15C C150 H15D 108.0 . . ?
C156 C151 C152 116.4(6) . . ?
C156 C151 C150 122.8(6) . . ?
C152 C151 C150 120.8(5) . . ?
C153 C152 C151 121.6(6) . . ?
C153 C152 H152 119.2 . . ?
C151 C152 H152 119.2 . . ?
C154 C153 C152 120.7(7) . . ?
C154 C153 H153 119.6 . . ?
C152 C153 H153 119.6 . . ?
C153 C154 C155 118.6(7) . . ?
C153 C154 H154 120.7 . . ?
C155 C154 H154 120.7 . . ?
C154 C155 C156 119.9(7) . . ?
C154 C155 H155 120.0 . . ?
C156 C155 H155 120.0 . . ?
C151 C156 C155 122.7(7) . . ?
C151 C156 H156 118.6 . . ?
C155 C156 H156 118.6 . . ?
C122 C157 H15E 109.5 . . ?
C122 C157 H15F 109.5 . . ?
H15E C157 H15F 109.5 . . ?
C122 C157 H15G 109.5 . . ?
H15E C157 H15G 109.5 . . ?
H15F C157 H15G 109.5 . . ?
O109 C158 C159 110.8(5) . . ?
O109 C158 H15H 109.5 . . ?
C159 C158 H15H 109.5 . . ?
O109 C158 H15I 109.5 . . ?
C159 C158 H15I 109.5 . . ?
H15H C158 H15I 108.1 . . ?
C164 C159 C160 117.8(6) . . ?
C164 C159 C158 122.5(5) . . ?
C160 C159 C158 119.8(6) . . ?
C159 C160 C161 121.8(7) . . ?
C159 C160 H160 119.1 . . ?
C161 C160 H160 119.1 . . ?
C162 C161 C160 119.5(8) . . ?
C162 C161 H161 120.3 . . ?
C160 C161 H161 120.3 . . ?
C163 C162 C161 119.7(8) . . ?
C163 C162 H162 120.2 . . ?
C161 C162 H162 120.2 . . ?
C162 C163 C164 121.5(8) . . ?
C162 C163 H163 119.2 . . ?
C164 C163 H163 119.2 . . ?
C159 C164 C163 119.7(7) . . ?
C159 C164 H164 120.1 . . ?
C163 C164 H164 120.1 . . ?
O110 C165 C166 123.3(5) . . ?
O110 C165 C124 119.2(5) . . ?
C166 C165 C124 117.5(5) . . ?
C165 C166 H16A 109.5 . . ?
C165 C166 H16B 109.5 . . ?
H16A C166 H16B 109.5 . . ?
C165 C166 H16C 109.5 . . ?
H16A C166 H16C 109.5 . . ?
H16B C166 H16C 109.5 . . ?
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
C201 Cl3 1.708(9) . ?
C201 Cl1 1.712(8) . ?
C201 Cl2 1.813(10) . ?
C201 H201 1.0000 . ?
C202 Cl6 1.737(10) . ?
C202 Cl5 1.765(9) . ?
C202 Cl4 1.774(11) . ?
C202 H202 1.0000 . ?
C203 Cl9 1.541(15) . ?
C203 Cl8 1.666(14) . ?
C203 Cl7 1.717(12) . ?
C203 H203 1.0000 . ?
Ni1 O1 1.840(3) . ?
Ni1 O12 1.841(4) . ?
Ni1 N2 1.843(4) . ?
Ni1 N1 1.856(4) . ?
O1 C1 1.290(6) . ?
O2 C3 1.382(6) . ?
O2 C4 1.390(6) . ?
O3 C29 1.207(7) . ?
O4 C31 1.399(7) . ?
O4 C6 1.415(7) . ?
O5 C8 1.390(6) . ?
O5 C39 1.461(6) . ?
O6 C11 1.197(6) . ?
O7 C18 1.230(6) . ?
O8 C21 1.381(6) . ?
O8 C50 1.471(6) . ?
O9 C23 1.414(6) . ?
O9 C58 1.414(6) . ?
O10 C65 1.228(9) . ?
O11 C26 1.379(6) . ?
O11 C25 1.420(6) . ?
O12 C28 1.260(6) . ?
N1 C13 1.317(6) . ?
N1 C14 1.468(6) . ?
N2 C16 1.309(6) . ?
N2 C15 1.474(6) . ?
C1 C12 1.417(7) . ?
C1 C2 1.462(7) . ?
C2 C3 1.309(7) . ?
C2 H2 0.9500 . ?
C3 C10 1.503(7) . ?
C4 C9 1.398(8) . ?
C4 C5 1.417(7) . ?
C5 C6 1.408(8) . ?
C5 C29 1.531(9) . ?
C6 C7 1.393(8) . ?
C7 C8 1.417(7) . ?
C7 C38 1.514(7) . ?
C8 C9 1.349(7) . ?
C9 C10 1.538(7) . ?
C10 C11 1.564(7) . ?
C10 C46 1.567(8) . ?
C11 C12 1.485(7) . ?
C12 C13 1.443(7) . ?
C13 C47 1.506(7) . ?
C14 C15 1.554(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.424(7) . ?
C16 C48 1.509(7) . ?
C17 C28 1.430(7) . ?
C17 C18 1.476(7) . ?
C18 C19 1.546(7) . ?
C19 C26 1.507(7) . ?
C19 C20 1.539(7) . ?
C19 C49 1.541(7) . ?
C20 C25 1.384(7) . ?
C20 C21 1.395(7) . ?
C21 C22 1.408(7) . ?
C22 C23 1.377(7) . ?
C22 C57 1.509(7) . ?
C23 C24 1.426(7) . ?
C24 C25 1.349(7) . ?
C24 C65 1.518(9) . ?
C26 C27 1.329(7) . ?
C27 C28 1.475(7) . ?
C27 H27 0.9500 . ?
C29 C30 1.461(10) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.499(8) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C37 1.356(8) . ?
C32 C33 1.389(8) . ?
C33 C34 1.403(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.303(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.343(9) . ?
C35 H35 0.9500 . ?
C36 C37 1.380(8) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.517(9) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C45 1.327(10) . ?
C40 C41 1.400(10) . ?
C41 C42 1.415(12) . ?
C41 H41 0.9500 . ?
C42 C43 1.542(14) . ?
C42 H42 0.9500 . ?
C43 C44 1.196(13) . ?
C43 H43 0.9500 . ?
C44 C45 1.385(13) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.486(8) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C52 1.364(9) . ?
C51 C56 1.387(8) . ?
C52 C53 1.416(10) . ?
C52 H52 0.9500 . ?
C53 C54 1.424(12) . ?
C53 H53 0.9500 . ?
C54 C55 1.401(13) . ?
C54 H54 0.9500 . ?
C55 C56 1.313(10) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.535(7) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.360(8) . ?
C59 C64 1.372(7) . ?
C60 C61 1.396(8) . ?
C60 H60 0.9500 . ?
C61 C62 1.371(9) . ?
C61 H61 0.9500 . ?
C62 C63 1.353(9) . ?
C62 H62 0.9500 . ?
C63 C64 1.357(8) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C65 C66 1.490(9) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
Ni2 O112 1.838(4) . ?
Ni2 O101 1.843(4) . ?
Ni2 N102 1.859(4) . ?
Ni2 N101 1.858(4) . ?
O101 C101 1.280(6) . ?
O102 C103 1.379(6) . ?
O102 C104 1.404(6) . ?
O103 C129 1.188(6) . ?
O104 C106 1.407(6) . ?
O104 C131 1.454(6) . ?
O105 C108 1.392(6) . ?
O105 C139 1.451(6) . ?
O106 C111 1.239(6) . ?
O107 C118 1.234(6) . ?
O108 C121 1.366(6) . ?
O108 C150 1.430(7) . ?
O109 C123 1.395(6) . ?
O109 C158 1.442(6) . ?
O110 C165 1.207(6) . ?
O111 C125 1.410(6) . ?
O111 C126 1.412(6) . ?
O112 C128 1.270(6) . ?
N101 C113 1.293(6) . ?
N101 C114 1.492(6) . ?
N102 C116 1.310(6) . ?
N102 C115 1.478(6) . ?
C101 C112 1.390(7) . ?
C101 C102 1.486(7) . ?
C102 C103 1.331(7) . ?
C102 H102 0.9500 . ?
C103 C110 1.480(7) . ?
C104 C109 1.377(7) . ?
C104 C105 1.402(7) . ?
C105 C106 1.410(7) . ?
C105 C129 1.511(7) . ?
C106 C107 1.383(7) . ?
C107 C108 1.407(7) . ?
C107 C138 1.529(7) . ?
C108 C109 1.410(7) . ?
C109 C110 1.514(7) . ?
C110 C111 1.539(7) . ?
C110 C146 1.590(7) . ?
C111 C112 1.459(7) . ?
C112 C113 1.461(7) . ?
C113 C147 1.515(7) . ?
C114 C115 1.492(7) . ?
C114 H11A 0.9900 . ?
C114 H11B 0.9900 . ?
C115 H11C 0.9900 . ?
C115 H11D 0.9900 . ?
C116 C117 1.450(7) . ?
C116 C148 1.530(7) . ?
C117 C128 1.444(7) . ?
C117 C118 1.488(7) . ?
C118 C119 1.535(7) . ?
C119 C126 1.500(7) . ?
C119 C120 1.522(7) . ?
C119 C149 1.583(7) . ?
C120 C125 1.380(7) . ?
C120 C121 1.405(7) . ?
C121 C122 1.407(7) . ?
C122 C123 1.392(8) . ?
C122 C157 1.479(7) . ?
C123 C124 1.372(7) . ?
C124 C125 1.422(7) . ?
C124 C165 1.542(8) . ?
C126 C127 1.335(7) . ?
C127 C128 1.465(7) . ?
C127 H127 0.9500 . ?
C129 C130 1.506(8) . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 C132 1.506(7) . ?
C131 H13D 0.9900 . ?
C131 H13E 0.9900 . ?
C132 C137 1.364(7) . ?
C132 C133 1.374(7) . ?
C133 C134 1.410(7) . ?
C133 H133 0.9500 . ?
C134 C135 1.377(8) . ?
C134 H134 0.9500 . ?
C135 C136 1.362(9) . ?
C135 H135 0.9500 . ?
C136 C137 1.373(8) . ?
C136 H136 0.9500 . ?
C137 H137 0.9500 . ?
C138 H13F 0.9800 . ?
C138 H13G 0.9800 . ?
C138 H13H 0.9800 . ?
C139 C140 1.497(7) . ?
C139 H13I 0.9900 . ?
C139 H13J 0.9900 . ?
C140 C141 1.378(7) . ?
C140 C145 1.389(8) . ?
C141 C142 1.419(8) . ?
C141 H141 0.9500 . ?
C142 C143 1.366(9) . ?
C142 H142 0.9500 . ?
C143 C144 1.337(8) . ?
C143 H143 0.9500 . ?
C144 C145 1.390(8) . ?
C144 H144 0.9500 . ?
C145 H145 0.9500 . ?
C146 H14C 0.9800 . ?
C146 H14D 0.9800 . ?
C146 H14E 0.9800 . ?
C147 H14F 0.9800 . ?
C147 H14G 0.9800 . ?
C147 H14H 0.9800 . ?
C148 H14I 0.9800 . ?
C148 H14J 0.9800 . ?
C148 H14K 0.9800 . ?
C149 H14L 0.9800 . ?
C149 H14M 0.9800 . ?
C149 H14N 0.9800 . ?
C150 C151 1.517(8) . ?
C150 H15C 0.9900 . ?
C150 H15D 0.9900 . ?
C151 C156 1.321(7) . ?
C151 C152 1.404(8) . ?
C152 C153 1.356(9) . ?
C152 H152 0.9500 . ?
C153 C154 1.355(9) . ?
C153 H153 0.9500 . ?
C154 C155 1.359(9) . ?
C154 H154 0.9500 . ?
C155 C156 1.391(8) . ?
C155 H155 0.9500 . ?
C156 H156 0.9500 . ?
C157 H15E 0.9800 . ?
C157 H15F 0.9800 . ?
C157 H15G 0.9800 . ?
C158 C159 1.504(8) . ?
C158 H15H 0.9900 . ?
C158 H15I 0.9900 . ?
C159 C164 1.334(8) . ?
C159 C160 1.354(8) . ?
C160 C161 1.371(9) . ?
C160 H160 0.9500 . ?
C161 C162 1.335(11) . ?
C161 H161 0.9500 . ?
C162 C163 1.308(10) . ?
C162 H162 0.9500 . ?
C163 C164 1.397(9) . ?
C163 H163 0.9500 . ?
C164 H164 0.9500 . ?
C165 C166 1.466(7) . ?
C166 H16A 0.9800 . ?
C166 H16B 0.9800 . ?
C166 H16C 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
_geom_torsion_publ_flag
O12 Ni1 O1 C1 -168.2(5) . . . . ?
N2 Ni1 O1 C1 145(2) . . . . ?
N1 Ni1 O1 C1 6.8(5) . . . . ?
O1 Ni1 O12 C28 167.1(5) . . . . ?
N2 Ni1 O12 C28 -16.1(5) . . . . ?
N1 Ni1 O12 C28 100.2(19) . . . . ?
O1 Ni1 N1 C13 -9.7(5) . . . . ?
O12 Ni1 N1 C13 57(2) . . . . ?
N2 Ni1 N1 C13 173.2(5) . . . . ?
O1 Ni1 N1 C14 -179.2(4) . . . . ?
O12 Ni1 N1 C14 -112.8(18) . . . . ?
N2 Ni1 N1 C14 3.6(4) . . . . ?
O1 Ni1 N2 C16 53(3) . . . . ?
O12 Ni1 N2 C16 6.7(5) . . . . ?
N1 Ni1 N2 C16 -168.4(5) . . . . ?
O1 Ni1 N2 C15 -119(2) . . . . ?
O12 Ni1 N2 C15 -165.7(3) . . . . ?
N1 Ni1 N2 C15 19.2(4) . . . . ?
Ni1 O1 C1 C12 -3.0(8) . . . . ?
Ni1 O1 C1 C2 -179.1(4) . . . . ?
O1 C1 C2 C3 -167.0(6) . . . . ?
C12 C1 C2 C3 16.8(9) . . . . ?
C1 C2 C3 O2 -174.0(5) . . . . ?
C1 C2 C3 C10 1.8(9) . . . . ?
C4 O2 C3 C2 161.9(6) . . . . ?
C4 O2 C3 C10 -14.3(6) . . . . ?
C3 O2 C4 C9 4.7(7) . . . . ?
C3 O2 C4 C5 -178.9(5) . . . . ?
O2 C4 C5 C6 -176.1(5) . . . . ?
C9 C4 C5 C6 0.0(9) . . . . ?
O2 C4 C5 C29 2.2(9) . . . . ?
C9 C4 C5 C29 178.3(6) . . . . ?
C4 C5 C6 C7 -1.4(9) . . . . ?
C29 C5 C6 C7 -179.7(7) . . . . ?
C4 C5 C6 O4 171.9(5) . . . . ?
C29 C5 C6 O4 -6.3(10) . . . . ?
C31 O4 C6 C7 -78.9(8) . . . . ?
C31 O4 C6 C5 107.6(6) . . . . ?
C5 C6 C7 C8 3.5(10) . . . . ?
O4 C6 C7 C8 -169.5(6) . . . . ?
C5 C6 C7 C38 178.1(6) . . . . ?
O4 C6 C7 C38 5.1(9) . . . . ?
C39 O5 C8 C9 -107.8(6) . . . . ?
C39 O5 C8 C7 79.3(6) . . . . ?
C6 C7 C8 C9 -4.2(9) . . . . ?
C38 C7 C8 C9 -178.8(6) . . . . ?
C6 C7 C8 O5 168.6(5) . . . . ?
C38 C7 C8 O5 -6.0(9) . . . . ?
O5 C8 C9 C4 -169.8(5) . . . . ?
C7 C8 C9 C4 2.8(9) . . . . ?
O5 C8 C9 C10 -4.4(10) . . . . ?
C7 C8 C9 C10 168.3(6) . . . . ?
O2 C4 C9 C8 175.7(5) . . . . ?
C5 C4 C9 C8 -0.7(9) . . . . ?
O2 C4 C9 C10 6.3(7) . . . . ?
C5 C4 C9 C10 -170.1(5) . . . . ?
C2 C3 C10 C9 -158.8(6) . . . . ?
O2 C3 C10 C9 17.4(6) . . . . ?
C2 C3 C10 C11 -31.6(8) . . . . ?
O2 C3 C10 C11 144.6(5) . . . . ?
C2 C3 C10 C46 84.3(7) . . . . ?
O2 C3 C10 C46 -99.4(5) . . . . ?
C8 C9 C10 C3 179.7(7) . . . . ?
C4 C9 C10 C3 -13.5(6) . . . . ?
C8 C9 C10 C11 59.2(9) . . . . ?
C4 C9 C10 C11 -133.9(5) . . . . ?
C8 C9 C10 C46 -63.7(9) . . . . ?
C4 C9 C10 C46 103.2(5) . . . . ?
C3 C10 C11 O6 -141.1(5) . . . . ?
C9 C10 C11 O6 -25.3(8) . . . . ?
C46 C10 C11 O6 100.0(6) . . . . ?
C3 C10 C11 C12 43.7(6) . . . . ?
C9 C10 C11 C12 159.5(5) . . . . ?
C46 C10 C11 C12 -75.2(5) . . . . ?
O1 C1 C12 C13 -0.8(9) . . . . ?
C2 C1 C12 C13 174.9(5) . . . . ?
O1 C1 C12 C11 -176.8(5) . . . . ?
C2 C1 C12 C11 -1.1(8) . . . . ?
O6 C11 C12 C1 155.5(6) . . . . ?
C10 C11 C12 C1 -29.5(7) . . . . ?
O6 C11 C12 C13 -20.5(9) . . . . ?
C10 C11 C12 C13 154.4(5) . . . . ?
C14 N1 C13 C12 177.6(5) . . . . ?
Ni1 N1 C13 C12 8.8(8) . . . . ?
C14 N1 C13 C47 -0.1(8) . . . . ?
Ni1 N1 C13 C47 -168.9(4) . . . . ?
C1 C12 C13 N1 -2.1(8) . . . . ?
C11 C12 C13 N1 173.8(5) . . . . ?
C1 C12 C13 C47 175.5(5) . . . . ?
C11 C12 C13 C47 -8.6(8) . . . . ?
C13 N1 C14 C15 165.3(5) . . . . ?
Ni1 N1 C14 C15 -24.1(5) . . . . ?
C16 N2 C15 C14 151.2(5) . . . . ?
Ni1 N2 C15 C14 -35.5(5) . . . . ?
N1 C14 C15 N2 37.8(6) . . . . ?
C15 N2 C16 C17 176.9(5) . . . . ?
Ni1 N2 C16 C17 5.0(8) . . . . ?
C15 N2 C16 C48 2.4(7) . . . . ?
Ni1 N2 C16 C48 -169.5(4) . . . . ?
N2 C16 C17 C28 -11.9(8) . . . . ?
C48 C16 C17 C28 162.5(5) . . . . ?
N2 C16 C17 C18 163.2(5) . . . . ?
C48 C16 C17 C18 -22.3(8) . . . . ?
C16 C17 C18 O7 -20.9(8) . . . . ?
C28 C17 C18 O7 154.5(5) . . . . ?
C16 C17 C18 C19 153.0(5) . . . . ?
C28 C17 C18 C19 -31.6(6) . . . . ?
O7 C18 C19 C26 -142.2(5) . . . . ?
C17 C18 C19 C26 43.6(6) . . . . ?
O7 C18 C19 C20 -27.5(7) . . . . ?
C17 C18 C19 C20 158.3(4) . . . . ?
O7 C18 C19 C49 98.3(6) . . . . ?
C17 C18 C19 C49 -75.9(5) . . . . ?
C26 C19 C20 C25 -11.8(5) . . . . ?
C49 C19 C20 C25 104.7(5) . . . . ?
C18 C19 C20 C25 -131.5(5) . . . . ?
C26 C19 C20 C21 -179.6(6) . . . . ?
C49 C19 C20 C21 -63.2(7) . . . . ?
C18 C19 C20 C21 60.7(8) . . . . ?
C50 O8 C21 C20 -109.1(5) . . . . ?
C50 O8 C21 C22 79.5(6) . . . . ?
C25 C20 C21 O8 -172.9(5) . . . . ?
C19 C20 C21 O8 -6.0(9) . . . . ?
C25 C20 C21 C22 -1.6(8) . . . . ?
C19 C20 C21 C22 165.4(5) . . . . ?
O8 C21 C22 C23 175.5(5) . . . . ?
C20 C21 C22 C23 4.2(8) . . . . ?
O8 C21 C22 C57 0.4(8) . . . . ?
C20 C21 C22 C57 -170.9(5) . . . . ?
C21 C22 C23 O9 -173.8(5) . . . . ?
C57 C22 C23 O9 1.2(8) . . . . ?
C21 C22 C23 C24 -3.2(8) . . . . ?
C57 C22 C23 C24 171.8(5) . . . . ?
C58 O9 C23 C22 -81.6(6) . . . . ?
C58 O9 C23 C24 107.1(5) . . . . ?
C22 C23 C24 C25 -0.5(8) . . . . ?
O9 C23 C24 C25 170.3(5) . . . . ?
C22 C23 C24 C65 177.6(6) . . . . ?
O9 C23 C24 C65 -11.7(8) . . . . ?
C23 C24 C25 C20 3.5(9) . . . . ?
C65 C24 C25 C20 -174.4(6) . . . . ?
C23 C24 C25 O11 -173.2(5) . . . . ?
C65 C24 C25 O11 8.8(10) . . . . ?
C21 C20 C25 C24 -2.6(9) . . . . ?
C19 C20 C25 C24 -172.6(6) . . . . ?
C21 C20 C25 O11 174.4(4) . . . . ?
C19 C20 C25 O11 4.4(6) . . . . ?
C26 O11 C25 C24 -176.9(5) . . . . ?
C26 O11 C25 C20 6.0(6) . . . . ?
C25 O11 C26 C27 164.8(5) . . . . ?
C25 O11 C26 C19 -14.5(6) . . . . ?
C20 C19 C26 C27 -163.1(5) . . . . ?
C49 C19 C26 C27 81.8(7) . . . . ?
C18 C19 C26 C27 -34.1(7) . . . . ?
C20 C19 C26 O11 16.2(6) . . . . ?
C49 C19 C26 O11 -98.9(5) . . . . ?
C18 C19 C26 O11 145.2(5) . . . . ?
O11 C26 C27 C28 -170.4(5) . . . . ?
C19 C26 C27 C28 8.8(8) . . . . ?
Ni1 O12 C28 C17 13.7(8) . . . . ?
Ni1 O12 C28 C27 -163.9(4) . . . . ?
C16 C17 C28 O12 2.6(9) . . . . ?
C18 C17 C28 O12 -172.7(5) . . . . ?
C16 C17 C28 C27 -179.9(5) . . . . ?
C18 C17 C28 C27 4.8(8) . . . . ?
C26 C27 C28 O12 -174.4(5) . . . . ?
C26 C27 C28 C17 7.9(8) . . . . ?
C6 C5 C29 O3 -129.0(8) . . . . ?
C4 C5 C29 O3 52.9(11) . . . . ?
C6 C5 C29 C30 55.2(12) . . . . ?
C4 C5 C29 C30 -123.0(8) . . . . ?
C6 O4 C31 C32 143.6(5) . . . . ?
O4 C31 C32 C37 0.9(9) . . . . ?
O4 C31 C32 C33 -179.7(5) . . . . ?
C37 C32 C33 C34 -3.2(9) . . . . ?
C31 C32 C33 C34 177.3(6) . . . . ?
C32 C33 C34 C35 2.5(10) . . . . ?
C33 C34 C35 C36 -0.9(11) . . . . ?
C34 C35 C36 C37 0.2(11) . . . . ?
C33 C32 C37 C36 2.5(9) . . . . ?
C31 C32 C37 C36 -178.1(6) . . . . ?
C35 C36 C37 C32 -1.0(10) . . . . ?
C8 O5 C39 C40 -164.3(5) . . . . ?
O5 C39 C40 C45 -63.8(9) . . . . ?
O5 C39 C40 C41 116.0(7) . . . . ?
C45 C40 C41 C42 1.3(12) . . . . ?
C39 C40 C41 C42 -178.5(7) . . . . ?
C40 C41 C42 C43 0.9(12) . . . . ?
C41 C42 C43 C44 -7.1(15) . . . . ?
C42 C43 C44 C45 10.9(19) . . . . ?
C41 C40 C45 C44 1.8(14) . . . . ?
C39 C40 C45 C44 -178.4(8) . . . . ?
C43 C44 C45 C40 -8.5(18) . . . . ?
C21 O8 C50 C51 -169.8(4) . . . . ?
O8 C50 C51 C52 -70.1(7) . . . . ?
O8 C50 C51 C56 103.3(7) . . . . ?
C56 C51 C52 C53 -2.0(11) . . . . ?
C50 C51 C52 C53 171.3(6) . . . . ?
C51 C52 C53 C54 2.0(12) . . . . ?
C52 C53 C54 C55 -0.3(14) . . . . ?
C53 C54 C55 C56 -1.3(15) . . . . ?
C54 C55 C56 C51 1.3(14) . . . . ?
C52 C51 C56 C55 0.4(12) . . . . ?
C50 C51 C56 C55 -173.0(8) . . . . ?
C23 O9 C58 C59 157.1(4) . . . . ?
O9 C58 C59 C60 159.3(5) . . . . ?
O9 C58 C59 C64 -22.7(7) . . . . ?
C64 C59 C60 C61 -0.6(8) . . . . ?
C58 C59 C60 C61 177.5(5) . . . . ?
C59 C60 C61 C62 1.2(9) . . . . ?
C60 C61 C62 C63 -0.7(9) . . . . ?
C61 C62 C63 C64 -0.5(10) . . . . ?
C62 C63 C64 C59 1.2(10) . . . . ?
C60 C59 C64 C63 -0.6(9) . . . . ?
C58 C59 C64 C63 -178.7(6) . . . . ?
C25 C24 C65 O10 125.6(7) . . . . ?
C23 C24 C65 O10 -52.2(9) . . . . ?
C25 C24 C65 C66 -50.3(9) . . . . ?
C23 C24 C65 C66 131.8(6) . . . . ?
O112 Ni2 O101 C101 160.1(4) . . . . ?
N102 Ni2 O101 C101 97(5) . . . . ?
N101 Ni2 O101 C101 -19.8(4) . . . . ?
O101 Ni2 O112 C128 -177.7(5) . . . . ?
N102 Ni2 O112 C128 0.5(5) . . . . ?
N101 Ni2 O112 C128 -175(65) . . . . ?
O112 Ni2 N101 C113 8(4) . . . . ?
O101 Ni2 N101 C113 10.8(5) . . . . ?
N102 Ni2 N101 C113 -167.4(5) . . . . ?
O112 Ni2 N101 C114 -165(4) . . . . ?
O101 Ni2 N101 C114 -163.0(4) . . . . ?
N102 Ni2 N101 C114 18.8(4) . . . . ?
O112 Ni2 N102 C116 -3.2(5) . . . . ?
O101 Ni2 N102 C116 60(6) . . . . ?
N101 Ni2 N102 C116 176.6(5) . . . . ?
O112 Ni2 N102 C115 -173.0(4) . . . . ?
O101 Ni2 N102 C115 -110(5) . . . . ?
N101 Ni2 N102 C115 6.8(4) . . . . ?
Ni2 O101 C101 C112 12.0(8) . . . . ?
Ni2 O101 C101 C102 -161.9(3) . . . . ?
O101 C101 C102 C103 -174.7(5) . . . . ?
C112 C101 C102 C103 11.0(8) . . . . ?
C101 C102 C103 O102 -169.0(5) . . . . ?
C101 C102 C103 C110 4.0(8) . . . . ?
C104 O102 C103 C102 162.2(5) . . . . ?
C104 O102 C103 C110 -11.6(5) . . . . ?
C103 O102 C104 C109 3.1(6) . . . . ?
C103 O102 C104 C105 -174.6(5) . . . . ?
C109 C104 C105 C106 4.9(8) . . . . ?
O102 C104 C105 C106 -177.7(5) . . . . ?
C109 C104 C105 C129 -175.6(5) . . . . ?
O102 C104 C105 C129 1.8(8) . . . . ?
C131 O104 C106 C107 -85.3(6) . . . . ?
C131 O104 C106 C105 100.3(5) . . . . ?
C104 C105 C106 C107 -0.1(8) . . . . ?
C129 C105 C106 C107 -179.6(5) . . . . ?
C104 C105 C106 O104 174.0(5) . . . . ?
C129 C105 C106 O104 -5.5(8) . . . . ?
O104 C106 C107 C108 -176.3(5) . . . . ?
C105 C106 C107 C108 -2.3(8) . . . . ?
O104 C106 C107 C138 -1.9(8) . . . . ?
C105 C106 C107 C138 172.1(5) . . . . ?
C139 O105 C108 C107 75.5(6) . . . . ?
C139 O105 C108 C109 -111.1(5) . . . . ?
C106 C107 C108 O105 173.5(5) . . . . ?
C138 C107 C108 O105 -1.0(8) . . . . ?
C106 C107 C108 C109 0.3(8) . . . . ?
C138 C107 C108 C109 -174.2(5) . . . . ?
C105 C104 C109 C108 -6.9(8) . . . . ?
O102 C104 C109 C108 175.5(4) . . . . ?
C105 C104 C109 C110 -176.3(5) . . . . ?
O102 C104 C109 C110 6.1(6) . . . . ?
O105 C108 C109 C104 -169.4(4) . . . . ?
C107 C108 C109 C104 3.9(7) . . . . ?
O105 C108 C109 C110 -3.5(8) . . . . ?
C107 C108 C109 C110 169.9(5) . . . . ?
C102 C103 C110 C109 -159.1(5) . . . . ?
O102 C103 C110 C109 14.5(5) . . . . ?
C102 C103 C110 C111 -27.1(7) . . . . ?
O102 C103 C110 C111 146.4(4) . . . . ?
C102 C103 C110 C146 87.6(6) . . . . ?
O102 C103 C110 C146 -98.9(5) . . . . ?
C104 C109 C110 C103 -11.9(5) . . . . ?
C108 C109 C110 C103 -178.8(6) . . . . ?
C104 C109 C110 C111 -134.3(5) . . . . ?
C108 C109 C110 C111 58.7(8) . . . . ?
C104 C109 C110 C146 105.2(5) . . . . ?
C108 C109 C110 C146 -61.8(7) . . . . ?
C103 C110 C111 O106 -145.9(5) . . . . ?
C109 C110 C111 O106 -27.7(7) . . . . ?
C146 C110 C111 O106 94.3(6) . . . . ?
C103 C110 C111 C112 37.2(6) . . . . ?
C109 C110 C111 C112 155.4(5) . . . . ?
C146 C110 C111 C112 -82.6(5) . . . . ?
O101 C101 C112 C111 -172.3(5) . . . . ?
C102 C101 C112 C111 1.2(8) . . . . ?
O101 C101 C112 C113 10.8(8) . . . . ?
C102 C101 C112 C113 -175.7(5) . . . . ?
O106 C111 C112 C101 156.9(5) . . . . ?
C110 C111 C112 C101 -26.4(7) . . . . ?
O106 C111 C112 C113 -26.2(8) . . . . ?
C110 C111 C112 C113 150.6(5) . . . . ?
C114 N101 C113 C112 179.1(5) . . . . ?
Ni2 N101 C113 C112 5.8(8) . . . . ?
C114 N101 C113 C147 1.4(8) . . . . ?
Ni2 N101 C113 C147 -171.8(4) . . . . ?
C101 C112 C113 N101 -19.7(8) . . . . ?
C111 C112 C113 N101 163.4(5) . . . . ?
C101 C112 C113 C147 157.9(5) . . . . ?
C111 C112 C113 C147 -19.0(8) . . . . ?
C113 N101 C114 C115 146.4(5) . . . . ?
Ni2 N101 C114 C115 -39.2(5) . . . . ?
C116 N102 C115 C114 158.6(5) . . . . ?
Ni2 N102 C115 C114 -30.7(5) . . . . ?
N101 C114 C115 N102 44.2(6) . . . . ?
C115 N102 C116 C117 175.2(5) . . . . ?
Ni2 N102 C116 C117 6.2(8) . . . . ?
C115 N102 C116 C148 1.1(8) . . . . ?
Ni2 N102 C116 C148 -167.9(4) . . . . ?
N102 C116 C117 C128 -6.2(8) . . . . ?
C148 C116 C117 C128 167.8(5) . . . . ?
N102 C116 C117 C118 170.3(5) . . . . ?
C148 C116 C117 C118 -15.7(8) . . . . ?
C128 C117 C118 O107 148.2(5) . . . . ?
C116 C117 C118 O107 -28.5(8) . . . . ?
C128 C117 C118 C119 -34.0(7) . . . . ?
C116 C117 C118 C119 149.3(5) . . . . ?
O107 C118 C119 C126 -135.3(5) . . . . ?
C117 C118 C119 C126 46.9(6) . . . . ?
O107 C118 C119 C120 -20.5(8) . . . . ?
C117 C118 C119 C120 161.7(5) . . . . ?
O107 C118 C119 C149 105.6(6) . . . . ?
C117 C118 C119 C149 -72.2(5) . . . . ?
C126 C119 C120 C125 -12.7(6) . . . . ?
C118 C119 C120 C125 -131.5(5) . . . . ?
C149 C119 C120 C125 103.5(5) . . . . ?
C126 C119 C120 C121 179.9(6) . . . . ?
C118 C119 C120 C121 61.1(8) . . . . ?
C149 C119 C120 C121 -64.0(8) . . . . ?
C150 O108 C121 C120 114.6(6) . . . . ?
C150 O108 C121 C122 -70.9(6) . . . . ?
C125 C120 C121 O108 -180.0(5) . . . . ?
C119 C120 C121 O108 -13.8(9) . . . . ?
C125 C120 C121 C122 5.4(8) . . . . ?
C119 C120 C121 C122 171.6(6) . . . . ?
O108 C121 C122 C123 178.6(5) . . . . ?
C120 C121 C122 C123 -7.0(8) . . . . ?
O108 C121 C122 C157 -4.1(8) . . . . ?
C120 C121 C122 C157 170.3(5) . . . . ?
C121 C122 C123 C124 2.2(8) . . . . ?
C157 C122 C123 C124 -175.1(6) . . . . ?
C121 C122 C123 O109 178.7(5) . . . . ?
C157 C122 C123 O109 1.4(8) . . . . ?
C158 O109 C123 C124 -103.5(6) . . . . ?
C158 O109 C123 C122 79.7(6) . . . . ?
C122 C123 C124 C125 3.9(9) . . . . ?
O109 C123 C124 C125 -172.8(5) . . . . ?
C122 C123 C124 C165 -177.5(5) . . . . ?
O109 C123 C124 C165 5.9(8) . . . . ?
C121 C120 C125 O111 175.2(5) . . . . ?
C119 C120 C125 O111 5.7(6) . . . . ?
C121 C120 C125 C124 1.0(9) . . . . ?
C119 C120 C125 C124 -168.5(5) . . . . ?
C126 O111 C125 C120 4.7(6) . . . . ?
C126 O111 C125 C124 178.9(5) . . . . ?
C123 C124 C125 C120 -5.5(9) . . . . ?
C165 C124 C125 C120 175.8(5) . . . . ?
C123 C124 C125 O111 -179.2(5) . . . . ?
C165 C124 C125 O111 2.1(8) . . . . ?
C125 O111 C126 C127 162.0(5) . . . . ?
C125 O111 C126 C119 -13.6(6) . . . . ?
C120 C119 C126 C127 -159.1(6) . . . . ?
C118 C119 C126 C127 -31.8(7) . . . . ?
C149 C119 C126 C127 85.4(7) . . . . ?
C120 C119 C126 O111 16.4(6) . . . . ?
C118 C119 C126 O111 143.7(4) . . . . ?
C149 C119 C126 O111 -99.1(5) . . . . ?
O111 C126 C127 C128 -174.4(5) . . . . ?
C119 C126 C127 C128 0.6(9) . . . . ?
Ni2 O112 C128 C117 -1.0(8) . . . . ?
Ni2 O112 C128 C127 -175.5(4) . . . . ?
C116 C117 C128 O112 3.6(9) . . . . ?
C118 C117 C128 O112 -173.1(5) . . . . ?
C116 C117 C128 C127 177.8(5) . . . . ?
C118 C117 C128 C127 1.1(8) . . . . ?
C126 C127 C128 O112 -168.6(5) . . . . ?
C126 C127 C128 C117 16.7(8) . . . . ?
C104 C105 C129 O103 130.5(6) . . . . ?
C106 C105 C129 O103 -50.1(8) . . . . ?
C104 C105 C129 C130 -49.6(7) . . . . ?
C106 C105 C129 C130 129.8(6) . . . . ?
C106 O104 C131 C132 174.9(4) . . . . ?
O104 C131 C132 C137 -61.9(7) . . . . ?
O104 C131 C132 C133 116.3(5) . . . . ?
C137 C132 C133 C134 -1.1(8) . . . . ?
C131 C132 C133 C134 -179.4(5) . . . . ?
C132 C133 C134 C135 -1.3(9) . . . . ?
C133 C134 C135 C136 2.4(10) . . . . ?
C134 C135 C136 C137 -1.2(11) . . . . ?
C133 C132 C137 C136 2.5(10) . . . . ?
C131 C132 C137 C136 -179.3(6) . . . . ?
C135 C136 C137 C132 -1.4(11) . . . . ?
C108 O105 C139 C140 -171.3(4) . . . . ?
O105 C139 C140 C141 125.5(6) . . . . ?
O105 C139 C140 C145 -53.9(7) . . . . ?
C145 C140 C141 C142 -4.5(9) . . . . ?
C139 C140 C141 C142 176.1(6) . . . . ?
C140 C141 C142 C143 6.9(10) . . . . ?
C141 C142 C143 C144 -4.4(11) . . . . ?
C142 C143 C144 C145 -0.4(10) . . . . ?
C143 C144 C145 C140 2.9(9) . . . . ?
C141 C140 C145 C144 -0.4(9) . . . . ?
C139 C140 C145 C144 179.1(5) . . . . ?
C121 O108 C150 C151 -135.4(5) . . . . ?
O108 C150 C151 C156 -34.9(9) . . . . ?
O108 C150 C151 C152 146.1(6) . . . . ?
C156 C151 C152 C153 -0.3(10) . . . . ?
C150 C151 C152 C153 178.8(6) . . . . ?
C151 C152 C153 C154 0.5(11) . . . . ?
C152 C153 C154 C155 -1.3(10) . . . . ?
C153 C154 C155 C156 1.8(10) . . . . ?
C152 C151 C156 C155 0.9(9) . . . . ?
C150 C151 C156 C155 -178.1(6) . . . . ?
C154 C155 C156 C151 -1.7(10) . . . . ?
C123 O109 C158 C159 168.0(5) . . . . ?
O109 C158 C159 C164 -59.1(8) . . . . ?
O109 C158 C159 C160 119.7(6) . . . . ?
C164 C159 C160 C161 -1.1(11) . . . . ?
C158 C159 C160 C161 -180.0(7) . . . . ?
C159 C160 C161 C162 1.5(13) . . . . ?
C160 C161 C162 C163 -2.0(14) . . . . ?
C161 C162 C163 C164 2.1(14) . . . . ?
C160 C159 C164 C163 1.2(10) . . . . ?
C158 C159 C164 C163 180.0(6) . . . . ?
C162 C163 C164 C159 -1.7(12) . . . . ?
C123 C124 C165 O110 60.0(8) . . . . ?
C125 C124 C165 O110 -121.4(6) . . . . ?
C123 C124 C165 C166 -120.0(6) . . . . ?
C125 C124 C165 C166 58.6(7) . . . . ?
