#------------------------------------------------------------------------------
#$Date: 2021-04-05 18:22:18 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/02/1560292.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_1560292
loop_
_publ_author_name
'Liu, Guan-Lin'
'Wu, Hsin-Wei'
'Lin, Zheng-Ian'
'Liao, Min-Gan'
'Su, Yu-Chia'
'Chen, Chih-Kuang'
'Ko, Bao-Tsan'
_publ_section_title
;
 Synthesis of functional CO2-based polycarbonates via dinuclear nickel
 nitrophenolate-based catalysis for degradable surfactant and drug-loaded
 nanoparticle applications
;
_journal_issue                   9
_journal_name_full               'Polymer Chemistry'
_journal_page_first              1244
_journal_page_last               1259
_journal_paper_doi               10.1039/D0PY01755H
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C59.5 H70 N10 Ni2 O10.5'
_chemical_formula_weight         1210.68
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-04-17 deposited with the CCDC.	2021-02-05 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.084(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9647(19)
_cell_length_b                   12.1455(12)
_cell_length_c                   26.148(3)
_cell_measurement_reflns_used    9195
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      3.10
_cell_volume                     5757.1(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            61794
_diffrn_reflns_theta_full        26.44
_diffrn_reflns_theta_max         26.44
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    0.723
_exptl_absorpt_correction_T_max  0.8343
_exptl_absorpt_correction_T_min  0.7463
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2548
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.477
_refine_diff_density_min         -1.308
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     749
_refine_ls_number_reflns         11768
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1240
_refine_ls_R_factor_gt           0.1139
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+160.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2685
_refine_ls_wR_factor_ref         0.2743
_reflns_number_gt                10399
_reflns_number_total             11768
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0py01755h2.cif
_cod_data_source_block           wn12_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1560292--1560294.cif.
;
_cod_original_cell_volume        5757.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C59.50 H70 N10 Ni2 O10.50'
_cod_database_code               1560292
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.94513(5) 0.87001(8) 0.22276(4) 0.0168(2) Uani 1 1 d . . .
Ni2 Ni 0.93505(5) 1.07438(8) 0.15216(4) 0.0158(2) Uani 1 1 d . . .
O1 O 0.9479(3) 0.9095(4) 0.14514(18) 0.0156(10) Uani 1 1 d . . .
O2 O 0.9525(3) 1.0364(4) 0.23021(19) 0.0165(10) Uani 1 1 d . . .
O3 O 0.8329(3) 0.8814(5) 0.1967(2) 0.0246(12) Uani 1 1 d . . .
O4 O 0.9221(3) 0.8527(5) 0.2978(2) 0.0295(13) Uani 1 1 d . . .
O5 O 0.8752(5) 0.7770(9) 0.3540(3) 0.070(3) Uani 1 1 d . . .
O6 O 1.0676(4) 0.3129(5) 0.1788(3) 0.0341(14) Uani 1 1 d . . .
O7 O 1.0288(4) 0.5023(6) 0.1290(3) 0.0437(17) Uani 1 1 d . . .
O8 O 1.0984(5) 0.6440(5) 0.1578(3) 0.051(2) Uani 1 1 d . . .
O9 O 0.8195(3) 1.0463(5) 0.1363(2) 0.0239(12) Uani 1 1 d . . .
H9C H 0.8049 1.0354 0.1677 0.029 Uiso 1 1 d R . .
O10 O 1.0465(3) 1.1068(5) 0.1685(2) 0.0227(12) Uani 1 1 d . . .
H10C H 1.0672 1.1494 0.1944 0.027 Uiso 1 1 d R . .
N1 N 0.9242(4) 1.0894(5) 0.0736(2) 0.0199(13) Uani 1 1 d . . .
N2 N 0.9089(4) 1.0064(5) 0.0386(2) 0.0188(13) Uani 1 1 d . . .
N3 N 0.9113(4) 1.0312(6) -0.0107(2) 0.0214(14) Uani 1 1 d . . .
N4 N 0.9138(3) 1.2317(5) 0.1764(2) 0.0189(13) Uani 1 1 d . . .
N5 N 0.9410(4) 1.2657(5) 0.2271(2) 0.0186(13) Uani 1 1 d . . .
N6 N 0.9106(3) 1.3543(5) 0.2407(3) 0.0199(13) Uani 1 1 d . . .
N7 N 0.9437(4) 0.7093(5) 0.2036(3) 0.0201(13) Uani 1 1 d . . .
N8 N 1.0519(4) 0.8575(5) 0.2675(2) 0.0195(13) Uani 1 1 d . . .
N9 N 0.8712(5) 0.7999(7) 0.3079(3) 0.0385(19) Uani 1 1 d . . .
N10 N 1.0877(5) 0.5416(6) 0.1574(3) 0.0337(17) Uani 1 1 d . . .
C1 C 0.9119(4) 0.8527(6) 0.1026(3) 0.0173(14) Uani 1 1 d . . .
C2 C 0.8903(4) 0.8955(6) 0.0502(3) 0.0164(14) Uani 1 1 d . . .
C3 C 0.8509(4) 0.8346(6) 0.0062(3) 0.0221(16) Uani 1 1 d . . .
H3B H 0.8347 0.8698 -0.0277 0.027 Uiso 1 1 calc R . .
C4 C 0.8342(4) 0.7248(7) 0.0099(3) 0.0230(16) Uani 1 1 d . . .
C5 C 0.8586(4) 0.6781(6) 0.0607(3) 0.0223(16) Uani 1 1 d . . .
H5A H 0.8494 0.6021 0.0645 0.027 Uiso 1 1 calc R . .
C6 C 0.8959(4) 0.7375(6) 0.1060(3) 0.0175(14) Uani 1 1 d . . .
C7 C 0.9218(4) 0.6733(6) 0.1553(3) 0.0211(16) Uani 1 1 d . . .
H7A H 0.9224 0.5957 0.1511 0.025 Uiso 1 1 calc R . .
C8 C 0.9699(5) 0.6229(7) 0.2454(3) 0.0293(19) Uani 1 1 d . . .
H8A H 0.9838 0.5559 0.2290 0.035 Uiso 1 1 calc R . .
H8B H 0.9294 0.6031 0.2606 0.035 Uiso 1 1 calc R . .
C9 C 1.0366(5) 0.6637(7) 0.2904(3) 0.032(2) Uani 1 1 d . . .
H9A H 1.0671 0.5993 0.3064 0.039 Uiso 1 1 calc R . .
H9B H 1.0184 0.6974 0.3186 0.039 Uiso 1 1 calc R . .
C10 C 1.0859(5) 0.7477(6) 0.2735(4) 0.0284(18) Uani 1 1 d . . .
H10A H 1.1347 0.7504 0.3008 0.034 Uiso 1 1 calc R . .
H10B H 1.0934 0.7246 0.2391 0.034 Uiso 1 1 calc R . .
C11 C 1.0877(4) 0.9317(6) 0.2990(3) 0.0220(16) Uani 1 1 d . . .
H11A H 1.1324 0.9090 0.3243 0.026 Uiso 1 1 calc R . .
C12 C 1.0680(4) 1.0469(6) 0.3010(3) 0.0193(15) Uani 1 1 d . . .
C13 C 1.0039(4) 1.0938(6) 0.2639(3) 0.0153(14) Uani 1 1 d . . .
C14 C 1.0003(4) 1.2104(6) 0.2659(3) 0.0164(14) Uani 1 1 d . . .
C15 C 1.0505(4) 1.2732(6) 0.3024(3) 0.0199(15) Uani 1 1 d . . .
H15A H 1.0449 1.3510 0.3007 0.024 Uiso 1 1 calc R . .
C16 C 1.1094(4) 1.2282(6) 0.3420(3) 0.0204(15) Uani 1 1 d . . .
C17 C 1.1171(4) 1.1132(6) 0.3390(3) 0.0228(16) Uani 1 1 d . . .
H17A H 1.1578 1.0788 0.3641 0.027 Uiso 1 1 calc R . .
C18 C 0.9391(4) 1.1755(6) 0.0450(3) 0.0163(14) Uani 1 1 d . . .
C19 C 0.9605(4) 1.2842(7) 0.0607(3) 0.0234(16) Uani 1 1 d . . .
H19A H 0.9668 1.3093 0.0961 0.028 Uiso 1 1 calc R . .
C20 C 0.9721(5) 1.3520(7) 0.0219(3) 0.0264(17) Uani 1 1 d . . .
H20A H 0.9872 1.4259 0.0309 0.032 Uiso 1 1 calc R . .
C21 C 0.9619(5) 1.3148(7) -0.0313(3) 0.0274(18) Uani 1 1 d . . .
H21A H 0.9693 1.3650 -0.0571 0.033 Uiso 1 1 calc R . .
C22 C 0.9418(5) 1.2094(7) -0.0463(3) 0.0262(17) Uani 1 1 d . . .
H22A H 0.9359 1.1853 -0.0819 0.031 Uiso 1 1 calc R . .
C23 C 0.9302(4) 1.1370(7) -0.0074(3) 0.0216(16) Uani 1 1 d . . .
C24 C 0.7913(5) 0.6568(7) -0.0390(3) 0.0260(17) Uani 1 1 d . . .
C25 C 0.7850(8) 0.7173(9) -0.0918(4) 0.055(3) Uani 1 1 d . . .
H25A H 0.8343 0.7394 -0.0929 0.083 Uiso 1 1 calc R . .
H25B H 0.7541 0.7828 -0.0942 0.083 Uiso 1 1 calc R . .
H25C H 0.7627 0.6682 -0.1219 0.083 Uiso 1 1 calc R . .
C26 C 0.8352(5) 0.5521(8) -0.0423(4) 0.040(2) Uani 1 1 d . . .
H26A H 0.8816 0.5722 -0.0492 0.060 Uiso 1 1 calc R . .
H26B H 0.8061 0.5052 -0.0714 0.060 Uiso 1 1 calc R . .
H26C H 0.8459 0.5119 -0.0083 0.060 Uiso 1 1 calc R . .
C27 C 0.7179(5) 0.6132(7) -0.0335(4) 0.0315(19) Uani 1 1 d . . .
H27A H 0.7305 0.5630 -0.0023 0.038 Uiso 1 1 calc R . .
H27B H 0.6961 0.5670 -0.0654 0.038 Uiso 1 1 calc R . .
C28 C 0.6549(6) 0.6892(10) -0.0270(4) 0.046(3) Uani 1 1 d . . .
C29 C 0.5929(10) 0.613(2) -0.0272(13) 0.192(17) Uani 1 1 d . . .
H29A H 0.5475 0.6557 -0.0322 0.288 Uiso 1 1 calc R . .
H29B H 0.6045 0.5738 0.0071 0.288 Uiso 1 1 calc R . .
H29C H 0.5861 0.5598 -0.0564 0.288 Uiso 1 1 calc R . .
C30 C 0.6311(17) 0.775(3) -0.0702(8) 0.25(2) Uani 1 1 d . . .
H30A H 0.5983 0.8281 -0.0604 0.381 Uiso 1 1 d R . .
H30B H 0.6049 0.7400 -0.1042 0.381 Uiso 1 1 d R . .
H30C H 0.6747 0.8137 -0.0741 0.381 Uiso 1 1 d R . .
C31 C 0.6732(7) 0.7482(13) 0.0250(5) 0.067(4) Uani 1 1 d . . .
H31A H 0.6369 0.8066 0.0233 0.100 Uiso 1 1 calc R . .
H31B H 0.7225 0.7808 0.0327 0.100 Uiso 1 1 calc R . .
H31C H 0.6724 0.6962 0.0535 0.100 Uiso 1 1 calc R . .
C32 C 1.1623(5) 1.2956(7) 0.3864(3) 0.0280(18) Uani 1 1 d . . .
C33 C 1.1644(11) 1.4149(10) 0.3702(6) 0.102(7) Uani 1 1 d . . .
H33A H 1.1142 1.4449 0.3595 0.153 Uiso 1 1 calc R . .
H33B H 1.1851 1.4198 0.3401 0.153 Uiso 1 1 calc R . .
H33C H 1.1951 1.4572 0.4005 0.153 Uiso 1 1 calc R . .
C34 C 1.2404(7) 1.2537(12) 0.3973(8) 0.102(7) Uani 1 1 d . . .
H34A H 1.2429 1.1771 0.4094 0.153 Uiso 1 1 calc R . .
H34B H 1.2737 1.2990 0.4250 0.153 Uiso 1 1 calc R . .
H34C H 1.2550 1.2577 0.3644 0.153 Uiso 1 1 calc R . .
C35 C 1.1468(8) 1.2796(18) 0.4391(6) 0.105(7) Uani 1 1 d . . .
H35A H 1.1836 1.3257 0.4649 0.126 Uiso 1 1 calc R . .
H35B H 1.1606 1.2023 0.4493 0.126 Uiso 1 1 calc R . .
C36 C 1.0731(8) 1.2985(12) 0.4523(6) 0.065(4) Uani 1 1 d . . .
C37 C 1.0108(7) 1.2343(19) 0.4189(5) 0.100(7) Uani 1 1 d . . .
H37A H 0.9648 1.2605 0.4246 0.150 Uiso 1 1 calc R . .
H37B H 1.0179 1.1563 0.4287 0.150 Uiso 1 1 calc R . .
H37C H 1.0082 1.2433 0.3811 0.150 Uiso 1 1 calc R . .
C38 C 1.0910(15) 1.258(3) 0.5064(8) 0.22(2) Uani 1 1 d . . .
H38A H 1.0535 1.2831 0.5228 0.329 Uiso 1 1 calc R . .
H38B H 1.1394 1.2863 0.5270 0.329 Uiso 1 1 calc R . .
H38C H 1.0922 1.1774 0.5061 0.329 Uiso 1 1 calc R . .
C39 C 1.058(2) 1.411(2) 0.457(2) 0.30(3) Uani 1 1 d . . .
H39A H 1.0163 1.4329 0.4265 0.447 Uiso 1 1 calc R . .
H39B H 1.1015 1.4545 0.4571 0.447 Uiso 1 1 calc R . .
H39C H 1.0456 1.4231 0.4903 0.447 Uiso 1 1 calc R . .
C40 C 0.8597(4) 1.3054(6) 0.1545(3) 0.0190(15) Uani 1 1 d . . .
C41 C 0.8114(5) 1.3149(8) 0.1027(3) 0.0303(19) Uani 1 1 d . . .
H41A H 0.8136 1.2657 0.0750 0.036 Uiso 1 1 calc R . .
C42 C 0.7608(5) 1.3984(8) 0.0940(4) 0.034(2) Uani 1 1 d . . .
H42A H 0.7264 1.4062 0.0595 0.040 Uiso 1 1 calc R . .
C43 C 0.7585(5) 1.4740(7) 0.1351(4) 0.034(2) Uani 1 1 d . . .
H43A H 0.7229 1.5315 0.1269 0.041 Uiso 1 1 calc R . .
C44 C 0.8056(5) 1.4668(7) 0.1861(4) 0.0308(19) Uani 1 1 d . . .
H44A H 0.8029 1.5164 0.2135 0.037 Uiso 1 1 calc R . .
C45 C 0.8581(4) 1.3821(6) 0.1953(3) 0.0222(16) Uani 1 1 d . . .
C46 C 0.7914(5) 0.8111(7) 0.2134(3) 0.0264(17) Uani 1 1 d . . .
C47 C 0.8086(5) 0.7652(7) 0.2658(3) 0.0277(18) Uani 1 1 d . . .
C48 C 0.7605(5) 0.6887(8) 0.2789(4) 0.035(2) Uani 1 1 d . . .
H48A H 0.7718 0.6609 0.3144 0.042 Uiso 1 1 calc R . .
C49 C 0.6983(5) 0.6542(8) 0.2415(4) 0.036(2) Uani 1 1 d . . .
H49A H 0.6680 0.5993 0.2502 0.043 Uiso 1 1 calc R . .
C50 C 0.6789(5) 0.6992(8) 0.1906(4) 0.037(2) Uani 1 1 d . . .
H50A H 0.6343 0.6771 0.1650 0.045 Uiso 1 1 calc R . .
C51 C 0.7241(5) 0.7763(8) 0.1767(4) 0.0315(19) Uani 1 1 d . . .
H51A H 0.7095 0.8066 0.1417 0.038 Uiso 1 1 calc R . .
C52 C 1.1296(5) 0.3580(8) 0.1982(4) 0.0323(19) Uani 1 1 d . . .
C53 C 1.1416(5) 0.4721(8) 0.1897(3) 0.0311(19) Uani 1 1 d . . .
C54 C 1.2119(6) 0.5213(9) 0.2127(4) 0.041(2) Uani 1 1 d . . .
H54A H 1.2192 0.5964 0.2055 0.049 Uiso 1 1 calc R . .
C55 C 1.2699(6) 0.4612(10) 0.2454(5) 0.047(3) Uani 1 1 d . . .
H55A H 1.3165 0.4946 0.2611 0.056 Uiso 1 1 calc R . .
C56 C 1.2583(6) 0.3501(10) 0.2547(4) 0.046(3) Uani 1 1 d . . .
H56A H 1.2974 0.3077 0.2771 0.056 Uiso 1 1 calc R . .
C57 C 1.1903(5) 0.3012(9) 0.2317(4) 0.038(2) Uani 1 1 d . . .
H57A H 1.1845 0.2256 0.2388 0.045 Uiso 1 1 calc R . .
C58 C 0.7600(5) 1.0406(9) 0.0885(4) 0.040(2) Uani 1 1 d . . .
H58A H 0.7216 1.0931 0.0905 0.060 Uiso 1 1 calc R . .
H58B H 0.7395 0.9659 0.0842 0.060 Uiso 1 1 calc R . .
H58C H 0.7777 1.0588 0.0579 0.060 Uiso 1 1 calc R . .
C59 C 1.0893(5) 1.0599(8) 0.1378(4) 0.036(2) Uani 1 1 d . . .
H59A H 1.1401 1.0872 0.1509 0.054 Uiso 1 1 calc R . .
H59B H 1.0682 1.0806 0.1002 0.054 Uiso 1 1 calc R . .
H59C H 1.0892 0.9796 0.1411 0.054 Uiso 1 1 calc R . .
O1S O 0.5467(17) -0.023(3) 0.1605(12) 0.124(10) Uiso 0.50 1 d P . .
C1S C 0.602(3) 0.005(4) 0.1310(19) 0.127(15) Uiso 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N7 Ni1 N8 90.5(3) . . ?
N7 Ni1 O2 169.7(2) . . ?
N8 Ni1 O2 89.5(2) . . ?
N7 Ni1 O3 92.7(3) . . ?
N8 Ni1 O3 165.1(2) . . ?
O2 Ni1 O3 90.0(2) . . ?
N7 Ni1 O1 89.0(2) . . ?
N8 Ni1 O1 105.6(2) . . ?
O2 Ni1 O1 81.1(2) . . ?
O3 Ni1 O1 89.0(2) . . ?
N7 Ni1 O4 98.1(3) . . ?
N8 Ni1 O4 84.4(2) . . ?
O2 Ni1 O4 92.1(2) . . ?
O3 Ni1 O4 80.8(2) . . ?
O1 Ni1 O4 167.7(2) . . ?
N1 Ni2 O2 171.3(2) . . ?
N1 Ni2 O1 88.6(2) . . ?
O2 Ni2 O1 83.00(19) . . ?
N1 Ni2 O10 89.2(2) . . ?
O2 Ni2 O10 88.9(2) . . ?
O1 Ni2 O10 93.7(2) . . ?
N1 Ni2 N4 104.8(2) . . ?
O2 Ni2 N4 83.8(2) . . ?
O1 Ni2 N4 165.4(2) . . ?
O10 Ni2 N4 92.3(2) . . ?
N1 Ni2 O9 91.4(2) . . ?
O2 Ni2 O9 90.8(2) . . ?
O1 Ni2 O9 88.2(2) . . ?
O10 Ni2 O9 178.0(2) . . ?
N4 Ni2 O9 85.8(2) . . ?
C1 O1 Ni2 123.1(4) . . ?
C1 O1 Ni1 122.8(4) . . ?
Ni2 O1 Ni1 95.7(2) . . ?
C13 O2 Ni2 115.3(4) . . ?
C13 O2 Ni1 127.7(4) . . ?
Ni2 O2 Ni1 98.3(2) . . ?
C46 O3 Ni1 120.7(5) . . ?
N9 O4 Ni1 128.4(5) . . ?
C58 O9 Ni2 133.2(6) . . ?
C58 O9 H9C 113.4 . . ?
Ni2 O9 H9C 113.4 . . ?
C59 O10 Ni2 121.8(5) . . ?
C59 O10 H10C 119.1 . . ?
Ni2 O10 H10C 119.1 . . ?
N2 N1 C18 104.0(6) . . ?
N2 N1 Ni2 124.6(5) . . ?
C18 N1 Ni2 130.9(5) . . ?
N1 N2 N3 115.3(6) . . ?
N1 N2 C2 125.2(6) . . ?
N3 N2 C2 119.5(6) . . ?
C23 N3 N2 104.0(6) . . ?
N5 N4 C40 103.8(6) . . ?
N5 N4 Ni2 122.0(5) . . ?
C40 N4 Ni2 131.7(5) . . ?
N6 N5 N4 116.6(6) . . ?
N6 N5 C14 120.2(6) . . ?
N4 N5 C14 123.2(6) . . ?
N5 N6 C45 103.6(6) . . ?
C7 N7 C8 115.1(6) . . ?
C7 N7 Ni1 123.4(5) . . ?
C8 N7 Ni1 121.5(5) . . ?
C11 N8 C10 116.1(7) . . ?
C11 N8 Ni1 124.9(5) . . ?
C10 N8 Ni1 117.6(5) . . ?
O5 N9 O4 119.8(8) . . ?
O5 N9 C47 119.5(8) . . ?
O4 N9 C47 120.6(7) . . ?
O7 N10 O8 120.0(9) . . ?
O7 N10 C53 119.8(8) . . ?
O8 N10 C53 120.2(9) . . ?
O1 C1 C2 124.0(6) . . ?
O1 C1 C6 121.6(7) . . ?
C2 C1 C6 114.3(6) . . ?
C3 C2 C1 122.8(7) . . ?
C3 C2 N2 115.3(6) . . ?
C1 C2 N2 121.9(6) . . ?
C4 C3 C2 122.4(7) . . ?
C4 C3 H3B 118.8 . . ?
C2 C3 H3B 118.8 . . ?
C3 C4 C5 116.2(7) . . ?
C3 C4 C24 122.4(7) . . ?
C5 C4 C24 121.4(7) . . ?
C4 C5 C6 123.1(7) . . ?
C4 C5 H5A 118.5 . . ?
C6 C5 H5A 118.5 . . ?
C5 C6 C1 121.0(7) . . ?
C5 C6 C7 115.4(7) . . ?
C1 C6 C7 123.4(7) . . ?
N7 C7 C6 127.8(7) . . ?
N7 C7 H7A 116.1 . . ?
C6 C7 H7A 116.1 . . ?
N7 C8 C9 110.8(7) . . ?
N7 C8 H8A 109.5 . . ?
C9 C8 H8A 109.5 . . ?
N7 C8 H8B 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 108.1 . . ?
C8 C9 C10 115.4(7) . . ?
C8 C9 H9A 108.4 . . ?
C10 C9 H9A 108.4 . . ?
C8 C9 H9B 108.4 . . ?
C10 C9 H9B 108.4 . . ?
H9A C9 H9B 107.5 . . ?
N8 C10 C9 110.4(7) . . ?
N8 C10 H10A 109.6 . . ?
C9 C10 H10A 109.6 . . ?
N8 C10 H10B 109.6 . . ?
C9 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N8 C11 C12 127.7(7) . . ?
N8 C11 H11A 116.2 . . ?
C12 C11 H11A 116.2 . . ?
C17 C12 C13 120.5(7) . . ?
C17 C12 C11 117.1(7) . . ?
C13 C12 C11 122.3(7) . . ?
O2 C13 C14 121.5(7) . . ?
O2 C13 C12 124.2(6) . . ?
C14 C13 C12 114.3(7) . . ?
C15 C14 C13 123.5(7) . . ?
C15 C14 N5 118.1(6) . . ?
C13 C14 N5 118.3(6) . . ?
C14 C15 C16 122.8(7) . . ?
C14 C15 H15A 118.6 . . ?
C16 C15 H15A 118.6 . . ?
C15 C16 C17 114.9(7) . . ?
C15 C16 C32 123.9(7) . . ?
C17 C16 C32 121.2(7) . . ?
C12 C17 C16 123.5(7) . . ?
C12 C17 H17A 118.3 . . ?
C16 C17 H17A 118.3 . . ?
N1 C18 C19 130.5(7) . . ?
N1 C18 C23 107.1(6) . . ?
C19 C18 C23 122.4(7) . . ?
C20 C19 C18 116.4(7) . . ?
C20 C19 H19A 121.8 . . ?
C18 C19 H19A 121.8 . . ?
C19 C20 C21 121.8(8) . . ?
C19 C20 H20A 119.1 . . ?
C21 C20 H20A 119.1 . . ?
C22 C21 C20 121.9(7) . . ?
C22 C21 H21A 119.1 . . ?
C20 C21 H21A 119.1 . . ?
C21 C22 C23 117.9(8) . . ?
C21 C22 H22A 121.0 . . ?
C23 C22 H22A 121.0 . . ?
N3 C23 C22 130.7(7) . . ?
N3 C23 C18 109.6(7) . . ?
C22 C23 C18 119.7(7) . . ?
C25 C24 C27 114.6(8) . . ?
C25 C24 C26 104.3(8) . . ?
C27 C24 C26 103.9(7) . . ?
C25 C24 C4 111.9(7) . . ?
C27 C24 C4 112.2(7) . . ?
C26 C24 C4 109.1(7) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 C28 123.5(8) . . ?
C24 C27 H27A 106.5 . . ?
C28 C27 H27A 106.5 . . ?
C24 C27 H27B 106.5 . . ?
C28 C27 H27B 106.5 . . ?
H27A C27 H27B 106.5 . . ?
C31 C28 C29 105.8(13) . . ?
C31 C28 C30 106.8(15) . . ?
C29 C28 C30 111(2) . . ?
C31 C28 C27 113.9(9) . . ?
C29 C28 C27 105.2(11) . . ?
C30 C28 C27 113.5(11) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.3 . . ?
C28 C30 H30B 109.7 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.4 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C35 C32 C34 103.3(12) . . ?
C35 C32 C33 114.1(13) . . ?
C34 C32 C33 105.7(12) . . ?
C35 C32 C16 111.4(8) . . ?
C34 C32 C16 110.5(8) . . ?
C33 C32 C16 111.4(8) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 C36 128.1(15) . . ?
C32 C35 H35A 105.3 . . ?
C36 C35 H35A 105.3 . . ?
C32 C35 H35B 105.3 . . ?
C36 C35 H35B 105.3 . . ?
H35A C35 H35B 106.0 . . ?
C39 C36 C38 104(3) . . ?
C39 C36 C37 115(2) . . ?
C38 C36 C37 108.6(15) . . ?
C39 C36 C35 112.5(19) . . ?
C38 C36 C35 101.6(18) . . ?
C37 C36 C35 114.1(11) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N4 C40 C41 131.5(7) . . ?
N4 C40 C45 107.2(7) . . ?
C41 C40 C45 121.2(7) . . ?
C42 C41 C40 116.8(8) . . ?
C42 C41 H41A 121.6 . . ?
C40 C41 H41A 121.6 . . ?
C41 C42 C43 121.9(8) . . ?
C41 C42 H42A 119.1 . . ?
C43 C42 H42A 119.1 . . ?
C44 C43 C42 122.4(8) . . ?
C44 C43 H43A 118.8 . . ?
C42 C43 H43A 118.8 . . ?
C43 C44 C45 116.2(8) . . ?
C43 C44 H44A 121.9 . . ?
C45 C44 H44A 121.9 . . ?
N6 C45 C44 129.7(8) . . ?
N6 C45 C40 108.8(7) . . ?
C44 C45 C40 121.4(8) . . ?
O3 C46 C51 118.4(8) . . ?
O3 C46 C47 125.5(8) . . ?
C51 C46 C47 116.1(8) . . ?
C48 C47 N9 117.2(8) . . ?
C48 C47 C46 120.6(8) . . ?
N9 C47 C46 122.0(8) . . ?
C49 C48 C47 120.9(9) . . ?
C49 C48 H48A 119.6 . . ?
C47 C48 H48A 119.6 . . ?
C48 C49 C50 120.0(9) . . ?
C48 C49 H49A 120.0 . . ?
C50 C49 H49A 120.0 . . ?
C49 C50 C51 120.5(9) . . ?
C49 C50 H50A 119.7 . . ?
C51 C50 H50A 119.7 . . ?
C50 C51 C46 121.8(9) . . ?
C50 C51 H51A 119.1 . . ?
C46 C51 H51A 119.1 . . ?
O6 C52 C57 122.3(9) . . ?
O6 C52 C53 122.0(9) . . ?
C57 C52 C53 115.7(9) . . ?
N10 C53 C54 115.4(9) . . ?
N10 C53 C52 123.8(9) . . ?
C54 C53 C52 120.8(9) . . ?
C55 C54 C53 121.0(10) . . ?
C55 C54 H54A 119.5 . . ?
C53 C54 H54A 119.5 . . ?
C54 C55 C56 118.6(10) . . ?
C54 C55 H55A 120.7 . . ?
C56 C55 H55A 120.7 . . ?
C57 C56 C55 120.7(10) . . ?
C57 C56 H56A 119.6 . . ?
C55 C56 H56A 119.6 . . ?
C56 C57 C52 123.2(10) . . ?
C56 C57 H57A 118.4 . . ?
C52 C57 H57A 118.4 . . ?
O9 C58 H58A 109.5 . . ?
O9 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O9 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O10 C59 H59A 109.5 . . ?
O10 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
O10 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 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
Ni1 N7 2.014(6) . ?
Ni1 N8 2.025(6) . ?
Ni1 O2 2.032(5) . ?
Ni1 O3 2.039(6) . ?
Ni1 O1 2.101(5) . ?
Ni1 O4 2.142(5) . ?
Ni2 N1 2.011(6) . ?
Ni2 O2 2.022(5) . ?
Ni2 O1 2.033(5) . ?
Ni2 O10 2.067(6) . ?
Ni2 N4 2.090(6) . ?
Ni2 O9 2.135(6) . ?
O1 C1 1.316(8) . ?
O2 C13 1.307(9) . ?
O3 C46 1.320(10) . ?
O4 N9 1.250(10) . ?
O5 N9 1.219(10) . ?
O6 C52 1.261(11) . ?
O7 N10 1.241(11) . ?
O8 N10 1.259(10) . ?
O9 C58 1.417(11) . ?
O9 H9C 0.9501 . ?
O10 C59 1.419(10) . ?
O10 H10C 0.8501 . ?
N1 N2 1.335(9) . ?
N1 C18 1.362(9) . ?
N2 N3 1.338(8) . ?
N2 C2 1.446(9) . ?
N3 C23 1.330(10) . ?
N4 N5 1.338(9) . ?
N4 C40 1.354(10) . ?
N5 N6 1.318(8) . ?
N5 C14 1.441(9) . ?
N6 C45 1.349(10) . ?
N7 C7 1.285(10) . ?
N7 C8 1.491(10) . ?
N8 C11 1.275(10) . ?
N8 C10 1.469(9) . ?
N9 C47 1.425(12) . ?
N10 C53 1.402(12) . ?
C1 C2 1.409(10) . ?
C1 C6 1.440(10) . ?
C2 C3 1.387(10) . ?
C3 C4 1.381(11) . ?
C3 H3B 0.9500 . ?
C4 C5 1.391(11) . ?
C4 C24 1.539(10) . ?
C5 C6 1.391(10) . ?
C5 H5A 0.9500 . ?
C6 C7 1.462(10) . ?
C7 H7A 0.9500 . ?
C8 C9 1.534(11) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.534(13) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.453(10) . ?
C11 H11A 0.9500 . ?
C12 C17 1.399(11) . ?
C12 C13 1.432(10) . ?
C13 C14 1.419(10) . ?
C14 C15 1.365(11) . ?
C15 C16 1.394(10) . ?
C15 H15A 0.9500 . ?
C16 C17 1.409(11) . ?
C16 C32 1.531(11) . ?
C17 H17A 0.9500 . ?
C18 C19 1.407(10) . ?
C18 C23 1.411(10) . ?
C19 C20 1.372(11) . ?
C19 H19A 0.9500 . ?
C20 C21 1.422(12) . ?
C20 H20A 0.9500 . ?
C21 C22 1.360(12) . ?
C21 H21A 0.9500 . ?
C22 C23 1.411(11) . ?
C22 H22A 0.9500 . ?
C24 C25 1.535(12) . ?
C24 C27 1.536(12) . ?
C24 C26 1.536(13) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.557(13) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C31 1.487(15) . ?
C28 C29 1.49(2) . ?
C28 C30 1.51(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9799 . ?
C30 H30C 0.9801 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C35 1.503(17) . ?
C32 C34 1.511(15) . ?
C32 C33 1.513(15) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.552(19) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C39 1.41(3) . ?
C36 C38 1.44(3) . ?
C36 C37 1.470(19) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.399(11) . ?
C40 C45 1.423(11) . ?
C41 C42 1.368(12) . ?
C41 H41A 0.9500 . ?
C42 C43 1.424(13) . ?
C42 H42A 0.9500 . ?
C43 C44 1.373(13) . ?
C43 H43A 0.9500 . ?
C44 C45 1.403(11) . ?
C44 H44A 0.9500 . ?
C46 C51 1.417(12) . ?
C46 C47 1.425(12) . ?
C47 C48 1.413(12) . ?
C48 C49 1.360(14) . ?
C48 H48A 0.9500 . ?
C49 C50 1.385(14) . ?
C49 H49A 0.9500 . ?
C50 C51 1.388(13) . ?
C50 H50A 0.9500 . ?
C51 H51A 0.9500 . ?
C52 C57 1.406(13) . ?
C52 C53 1.433(13) . ?
C53 C54 1.423(13) . ?
C54 C55 1.386(16) . ?
C54 H54A 0.9500 . ?
C55 C56 1.400(16) . ?
C55 H55A 0.9500 . ?
C56 C57 1.386(14) . ?
C56 H56A 0.9500 . ?
C57 H57A 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
O1S C1S 1.51(5) . ?
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
N1 Ni2 O1 C1 -36.5(5) . . . . ?
O2 Ni2 O1 C1 146.0(5) . . . . ?
O10 Ni2 O1 C1 -125.6(5) . . . . ?
N4 Ni2 O1 C1 120.7(9) . . . . ?
O9 Ni2 O1 C1 55.0(5) . . . . ?
N1 Ni2 O1 Ni1 -172.1(2) . . . . ?
O2 Ni2 O1 Ni1 10.4(2) . . . . ?
O10 Ni2 O1 Ni1 98.8(2) . . . . ?
N4 Ni2 O1 Ni1 -14.9(10) . . . . ?
O9 Ni2 O1 Ni1 -80.6(2) . . . . ?
N7 Ni1 O1 C1 36.7(6) . . . . ?
N8 Ni1 O1 C1 126.9(5) . . . . ?
O2 Ni1 O1 C1 -146.2(6) . . . . ?
O3 Ni1 O1 C1 -56.0(5) . . . . ?
O4 Ni1 O1 C1 -89.2(11) . . . . ?
N7 Ni1 O1 Ni2 172.5(2) . . . . ?
N8 Ni1 O1 Ni2 -97.3(2) . . . . ?
O2 Ni1 O1 Ni2 -10.4(2) . . . . ?
O3 Ni1 O1 Ni2 79.8(2) . . . . ?
O4 Ni1 O1 Ni2 46.6(11) . . . . ?
N1 Ni2 O2 C13 111.3(16) . . . . ?
O1 Ni2 O2 C13 128.0(5) . . . . ?
O10 Ni2 O2 C13 34.2(5) . . . . ?
N4 Ni2 O2 C13 -58.2(5) . . . . ?
O9 Ni2 O2 C13 -143.9(5) . . . . ?
N1 Ni2 O2 Ni1 -27.5(17) . . . . ?
O1 Ni2 O2 Ni1 -10.8(2) . . . . ?
O10 Ni2 O2 Ni1 -104.6(2) . . . . ?
N4 Ni2 O2 Ni1 163.0(3) . . . . ?
O9 Ni2 O2 Ni1 77.3(2) . . . . ?
N7 Ni1 O2 C13 -104.4(14) . . . . ?
N8 Ni1 O2 C13 -14.7(6) . . . . ?
O3 Ni1 O2 C13 150.4(6) . . . . ?
O1 Ni1 O2 C13 -120.7(6) . . . . ?
O4 Ni1 O2 C13 69.6(6) . . . . ?
N7 Ni1 O2 Ni2 26.7(15) . . . . ?
N8 Ni1 O2 Ni2 116.4(3) . . . . ?
O3 Ni1 O2 Ni2 -78.5(2) . . . . ?
O1 Ni1 O2 Ni2 10.5(2) . . . . ?
O4 Ni1 O2 Ni2 -159.2(2) . . . . ?
N7 Ni1 O3 C46 51.5(6) . . . . ?
N8 Ni1 O3 C46 -50.6(12) . . . . ?
O2 Ni1 O3 C46 -138.4(6) . . . . ?
O1 Ni1 O3 C46 140.5(6) . . . . ?
O4 Ni1 O3 C46 -46.3(6) . . . . ?
N7 Ni1 O4 N9 -51.1(8) . . . . ?
N8 Ni1 O4 N9 -140.8(8) . . . . ?
O2 Ni1 O4 N9 130.0(8) . . . . ?
O3 Ni1 O4 N9 40.3(8) . . . . ?
O1 Ni1 O4 N9 73.9(13) . . . . ?
N1 Ni2 O9 C58 0.2(8) . . . . ?
O2 Ni2 O9 C58 -171.3(8) . . . . ?
O1 Ni2 O9 C58 -88.3(8) . . . . ?
O10 Ni2 O9 C58 108(6) . . . . ?
N4 Ni2 O9 C58 105.0(8) . . . . ?
N1 Ni2 O10 C59 -42.1(6) . . . . ?
O2 Ni2 O10 C59 129.4(6) . . . . ?
O1 Ni2 O10 C59 46.5(6) . . . . ?
N4 Ni2 O10 C59 -146.9(6) . . . . ?
O9 Ni2 O10 C59 -150(6) . . . . ?
O2 Ni2 N1 N2 34(2) . . . . ?
O1 Ni2 N1 N2 17.6(6) . . . . ?
O10 Ni2 N1 N2 111.3(6) . . . . ?
N4 Ni2 N1 N2 -156.6(6) . . . . ?
O9 Ni2 N1 N2 -70.6(6) . . . . ?
O2 Ni2 N1 C18 -136.3(14) . . . . ?
O1 Ni2 N1 C18 -152.9(7) . . . . ?
O10 Ni2 N1 C18 -59.2(7) . . . . ?
N4 Ni2 N1 C18 32.9(7) . . . . ?
O9 Ni2 N1 C18 118.9(7) . . . . ?
C18 N1 N2 N3 -0.9(9) . . . . ?
Ni2 N1 N2 N3 -173.5(5) . . . . ?
C18 N1 N2 C2 179.1(7) . . . . ?
Ni2 N1 N2 C2 6.5(10) . . . . ?
N1 N2 N3 C23 0.6(9) . . . . ?
C2 N2 N3 C23 -179.5(7) . . . . ?
N1 Ni2 N4 N5 -154.7(6) . . . . ?
O2 Ni2 N4 N5 23.6(6) . . . . ?
O1 Ni2 N4 N5 48.9(12) . . . . ?
O10 Ni2 N4 N5 -65.0(6) . . . . ?
O9 Ni2 N4 N5 114.9(6) . . . . ?
N1 Ni2 N4 C40 46.2(7) . . . . ?
O2 Ni2 N4 C40 -135.4(7) . . . . ?
O1 Ni2 N4 C40 -110.2(10) . . . . ?
O10 Ni2 N4 C40 136.0(7) . . . . ?
O9 Ni2 N4 C40 -44.2(7) . . . . ?
C40 N4 N5 N6 -0.3(8) . . . . ?
Ni2 N4 N5 N6 -164.3(5) . . . . ?
C40 N4 N5 C14 179.7(7) . . . . ?
Ni2 N4 N5 C14 15.7(9) . . . . ?
N4 N5 N6 C45 0.3(8) . . . . ?
C14 N5 N6 C45 -179.7(7) . . . . ?
N8 Ni1 N7 C7 -128.3(7) . . . . ?
O2 Ni1 N7 C7 -38.7(17) . . . . ?
O3 Ni1 N7 C7 66.2(7) . . . . ?
O1 Ni1 N7 C7 -22.7(7) . . . . ?
O4 Ni1 N7 C7 147.3(6) . . . . ?
N8 Ni1 N7 C8 50.6(6) . . . . ?
O2 Ni1 N7 C8 140.2(12) . . . . ?
O3 Ni1 N7 C8 -114.9(6) . . . . ?
O1 Ni1 N7 C8 156.2(6) . . . . ?
O4 Ni1 N7 C8 -33.8(6) . . . . ?
N7 Ni1 N8 C11 -169.9(7) . . . . ?
O2 Ni1 N8 C11 20.4(7) . . . . ?
O3 Ni1 N8 C11 -67.5(12) . . . . ?
O1 Ni1 N8 C11 101.0(7) . . . . ?
O4 Ni1 N8 C11 -71.8(7) . . . . ?
N7 Ni1 N8 C10 -4.3(6) . . . . ?
O2 Ni1 N8 C10 -174.0(6) . . . . ?
O3 Ni1 N8 C10 98.1(11) . . . . ?
O1 Ni1 N8 C10 -93.4(6) . . . . ?
O4 Ni1 N8 C10 93.8(6) . . . . ?
Ni1 O4 N9 O5 163.0(8) . . . . ?
Ni1 O4 N9 C47 -16.5(13) . . . . ?
Ni2 O1 C1 C2 32.2(9) . . . . ?
Ni1 O1 C1 C2 156.3(6) . . . . ?
Ni2 O1 C1 C6 -152.5(5) . . . . ?
Ni1 O1 C1 C6 -28.4(9) . . . . ?
O1 C1 C2 C3 -178.5(7) . . . . ?
C6 C1 C2 C3 5.9(11) . . . . ?
O1 C1 C2 N2 2.2(11) . . . . ?
C6 C1 C2 N2 -173.4(6) . . . . ?
N1 N2 C2 C3 157.1(7) . . . . ?
N3 N2 C2 C3 -22.8(10) . . . . ?
N1 N2 C2 C1 -23.5(11) . . . . ?
N3 N2 C2 C1 156.5(7) . . . . ?
C1 C2 C3 C4 -4.7(12) . . . . ?
N2 C2 C3 C4 174.6(7) . . . . ?
C2 C3 C4 C5 0.6(12) . . . . ?
C2 C3 C4 C24 -179.1(8) . . . . ?
C3 C4 C5 C6 1.9(12) . . . . ?
C24 C4 C5 C6 -178.4(8) . . . . ?
C4 C5 C6 C1 -0.4(12) . . . . ?
C4 C5 C6 C7 -176.1(8) . . . . ?
O1 C1 C6 C5 -179.1(7) . . . . ?
C2 C1 C6 C5 -3.4(11) . . . . ?
O1 C1 C6 C7 -3.8(11) . . . . ?
C2 C1 C6 C7 171.9(7) . . . . ?
C8 N7 C7 C6 -177.5(8) . . . . ?
Ni1 N7 C7 C6 1.5(12) . . . . ?
C5 C6 C7 N7 -164.7(8) . . . . ?
C1 C6 C7 N7 19.8(13) . . . . ?
C7 N7 C8 C9 142.2(8) . . . . ?
Ni1 N7 C8 C9 -36.8(10) . . . . ?
N7 C8 C9 C10 -29.8(11) . . . . ?
C11 N8 C10 C9 117.1(8) . . . . ?
Ni1 N8 C10 C9 -49.8(8) . . . . ?
C8 C9 C10 N8 78.1(9) . . . . ?
C10 N8 C11 C12 178.4(8) . . . . ?
Ni1 N8 C11 C12 -15.8(12) . . . . ?
N8 C11 C12 C17 -179.0(8) . . . . ?
N8 C11 C12 C13 -2.9(13) . . . . ?
Ni2 O2 C13 C14 58.0(8) . . . . ?
Ni1 O2 C13 C14 -177.5(5) . . . . ?
Ni2 O2 C13 C12 -121.4(6) . . . . ?
Ni1 O2 C13 C12 3.1(10) . . . . ?
C17 C12 C13 O2 -174.2(7) . . . . ?
C11 C12 C13 O2 9.8(11) . . . . ?
C17 C12 C13 C14 6.4(10) . . . . ?
C11 C12 C13 C14 -169.6(7) . . . . ?
O2 C13 C14 C15 176.1(7) . . . . ?
C12 C13 C14 C15 -4.5(11) . . . . ?
O2 C13 C14 N5 -4.4(10) . . . . ?
C12 C13 C14 N5 175.0(6) . . . . ?
N6 N5 C14 C15 -36.5(10) . . . . ?
N4 N5 C14 C15 143.5(7) . . . . ?
N6 N5 C14 C13 144.0(7) . . . . ?
N4 N5 C14 C13 -36.0(10) . . . . ?
C13 C14 C15 C16 -1.3(12) . . . . ?
N5 C14 C15 C16 179.2(7) . . . . ?
C14 C15 C16 C17 5.0(12) . . . . ?
C14 C15 C16 C32 -174.3(8) . . . . ?
C13 C12 C17 C16 -3.0(12) . . . . ?
C11 C12 C17 C16 173.3(8) . . . . ?
C15 C16 C17 C12 -2.8(12) . . . . ?
C32 C16 C17 C12 176.5(8) . . . . ?
N2 N1 C18 C19 -178.2(8) . . . . ?
Ni2 N1 C18 C19 -6.3(13) . . . . ?
N2 N1 C18 C23 0.8(8) . . . . ?
Ni2 N1 C18 C23 172.8(5) . . . . ?
N1 C18 C19 C20 179.4(8) . . . . ?
C23 C18 C19 C20 0.5(12) . . . . ?
C18 C19 C20 C21 0.8(12) . . . . ?
C19 C20 C21 C22 -1.5(14) . . . . ?
C20 C21 C22 C23 0.8(13) . . . . ?
N2 N3 C23 C22 179.7(8) . . . . ?
N2 N3 C23 C18 0.0(8) . . . . ?
C21 C22 C23 N3 -179.3(8) . . . . ?
C21 C22 C23 C18 0.4(12) . . . . ?
N1 C18 C23 N3 -0.5(9) . . . . ?
C19 C18 C23 N3 178.6(7) . . . . ?
N1 C18 C23 C22 179.7(7) . . . . ?
C19 C18 C23 C22 -1.1(12) . . . . ?
C3 C4 C24 C25 12.2(13) . . . . ?
C5 C4 C24 C25 -167.5(9) . . . . ?
C3 C4 C24 C27 -118.3(9) . . . . ?
C5 C4 C24 C27 62.1(11) . . . . ?
C3 C4 C24 C26 127.1(9) . . . . ?
C5 C4 C24 C26 -52.5(11) . . . . ?
C25 C24 C27 C28 -68.8(11) . . . . ?
C26 C24 C27 C28 178.1(9) . . . . ?
C4 C24 C27 C28 60.3(11) . . . . ?
C24 C27 C28 C31 -68.6(14) . . . . ?
C24 C27 C28 C29 176.0(15) . . . . ?
C24 C27 C28 C30 54(2) . . . . ?
C15 C16 C32 C35 104.9(13) . . . . ?
C17 C16 C32 C35 -74.4(13) . . . . ?
C15 C16 C32 C34 -141.0(12) . . . . ?
C17 C16 C32 C34 39.7(14) . . . . ?
C15 C16 C32 C33 -23.8(14) . . . . ?
C17 C16 C32 C33 156.9(12) . . . . ?
C34 C32 C35 C36 -174.6(15) . . . . ?
C33 C32 C35 C36 71.1(19) . . . . ?
C16 C32 C35 C36 -56(2) . . . . ?
C32 C35 C36 C39 -75(3) . . . . ?
C32 C35 C36 C38 174(2) . . . . ?
C32 C35 C36 C37 57(2) . . . . ?
N5 N4 C40 C41 179.5(8) . . . . ?
Ni2 N4 C40 C41 -18.7(13) . . . . ?
N5 N4 C40 C45 0.1(8) . . . . ?
Ni2 N4 C40 C45 161.9(5) . . . . ?
N4 C40 C41 C42 178.1(8) . . . . ?
C45 C40 C41 C42 -2.7(13) . . . . ?
C40 C41 C42 C43 1.5(14) . . . . ?
C41 C42 C43 C44 -1.1(15) . . . . ?
C42 C43 C44 C45 1.7(14) . . . . ?
N5 N6 C45 C44 176.7(8) . . . . ?
N5 N6 C45 C40 -0.2(8) . . . . ?
C43 C44 C45 N6 -179.3(8) . . . . ?
C43 C44 C45 C40 -2.8(12) . . . . ?
N4 C40 C45 N6 0.1(9) . . . . ?
C41 C40 C45 N6 -179.4(7) . . . . ?
N4 C40 C45 C44 -177.1(7) . . . . ?
C41 C40 C45 C44 3.4(12) . . . . ?
Ni1 O3 C46 C51 -143.3(6) . . . . ?
Ni1 O3 C46 C47 36.1(11) . . . . ?
O5 N9 C47 C48 -11.2(14) . . . . ?
O4 N9 C47 C48 168.2(8) . . . . ?
O5 N9 C47 C46 164.2(10) . . . . ?
O4 N9 C47 C46 -16.4(14) . . . . ?
O3 C46 C47 C48 -178.7(8) . . . . ?
C51 C46 C47 C48 0.7(12) . . . . ?
O3 C46 C47 N9 6.0(13) . . . . ?
C51 C46 C47 N9 -174.6(8) . . . . ?
N9 C47 C48 C49 177.8(8) . . . . ?
C46 C47 C48 C49 2.3(14) . . . . ?
C47 C48 C49 C50 -4.0(14) . . . . ?
C48 C49 C50 C51 2.6(14) . . . . ?
C49 C50 C51 C46 0.6(14) . . . . ?
O3 C46 C51 C50 177.4(8) . . . . ?
C47 C46 C51 C50 -2.1(13) . . . . ?
O7 N10 C53 C54 168.6(8) . . . . ?
O8 N10 C53 C54 -12.8(12) . . . . ?
O7 N10 C53 C52 -9.0(13) . . . . ?
O8 N10 C53 C52 169.6(8) . . . . ?
O6 C52 C53 N10 -3.4(14) . . . . ?
C57 C52 C53 N10 179.6(8) . . . . ?
O6 C52 C53 C54 179.1(9) . . . . ?
C57 C52 C53 C54 2.1(13) . . . . ?
N10 C53 C54 C55 -179.9(9) . . . . ?
C52 C53 C54 C55 -2.2(14) . . . . ?
C53 C54 C55 C56 1.0(16) . . . . ?
C54 C55 C56 C57 0.1(16) . . . . ?
C55 C56 C57 C52 -0.2(17) . . . . ?
O6 C52 C57 C56 -178.0(10) . . . . ?
C53 C52 C57 C56 -0.9(14) . . . . ?
