#------------------------------------------------------------------------------
#$Date: 2019-11-22 23:29:56 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231566 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/33/4003392.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_4003392
loop_
_publ_author_name
'Shao, Zhichao'
'Huang, Chao'
'Dang, Jian'
'Wu, Qiong'
'Liu, Yeye'
'Ding, Jie'
'Hou, Hongwei'
_publ_section_title
;
 Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted
 Linker Exchange Based on a Water-Stable 3D MOF
;
_journal_issue                   21
_journal_name_full               'Chemistry of Materials'
_journal_page_first              7979
_journal_paper_doi               10.1021/acs.chemmater.8b03621
_journal_volume                  30
_journal_year                    2018
_chemical_formula_sum            'C19 H24 N3 Ni1.5 O13'
_chemical_formula_weight         590.48
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 131.263(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.710(11)
_cell_length_b                   10.017(3)
_cell_length_c                   22.795(6)
_cell_measurement_reflns_used    9903
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.64
_cell_volume                     4928(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker D8 VENTURE'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON'
_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  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            52357
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    1.229
_exptl_absorpt_correction_T_max  0.8974
_exptl_absorpt_correction_T_min  0.8665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker 2000)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.145
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5633
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0493
_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)+(0.1146P)²+13.8966P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
_refine_ls_wR_factor_ref         0.1697
_reflns_number_gt                4726
_reflns_number_total             5633
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm8b03621_si_007.cif
_cod_data_source_block           mo_180310c_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/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_original_formula_sum        'C19 H24 N3 Ni1.50 O13'
_cod_database_code               4003392
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.7500 0.2500 0.5000 0.01670(17) Uani 1 2 d S
Ni2 Ni 0.677404(19) -0.15249(4) 0.57886(2) 0.01928(15) Uani 1 1 d .
O1 O 0.73142(12) 0.1192(2) 0.55331(14) 0.0240(5) Uani 1 1 d .
O2 O 0.69574(11) 0.4006(2) 0.49397(13) 0.0243(5) Uani 1 1 d .
O3 O 0.75045(11) 0.7256(2) 0.66729(14) 0.0261(5) Uani 1 1 d .
O4 O 0.66489(13) 0.6363(2) 0.56277(15) 0.0300(6) Uani 1 1 d .
O5 O 0.71692(12) 0.0272(2) 0.62896(14) 0.0251(5) Uani 1 1 d .
O6 O 0.62104(12) 0.3570(3) 0.49708(16) 0.0345(6) Uani 1 1 d .
O13 O 0.6610(3) 0.6380(4) 0.4105(3) 0.0866(15) Uani 1 1 d GU
N1 N 0.33065(13) 0.1744(3) 0.10685(16) 0.0216(5) Uani 1 1 d .
O7 O 0.71429(17) -0.1569(3) 0.5255(2) 0.0448(7) Uani 1 1 d .
H7A H 0.6980 -0.2209 0.4930 0.067 Uiso 1 1 d R
H7B H 0.7526 -0.1765 0.5591 0.067 Uiso 1 1 d R
N3 N 0.59563(14) -0.0827(3) 0.47448(16) 0.0266(6) Uani 1 1 d .
N4 N 0.85987(14) 0.3527(3) 0.86499(16) 0.0236(6) Uani 1 1 d .
H4A H 0.8848 0.4244 0.8827 0.028 Uiso 1 1 calc R
H4B H 0.8836 0.2797 0.8796 0.028 Uiso 1 1 calc R
C1 C 0.67596(15) 0.3771(3) 0.52931(18) 0.0210(6) Uani 1 1 d .
C2 C 0.72432(14) 0.3722(3) 0.61797(18) 0.0176(6) Uani 1 1 d .
C3 C 0.74444(14) 0.4875(3) 0.66389(18) 0.0188(6) Uani 1 1 d .
C4 C 0.71860(16) 0.6229(3) 0.62894(19) 0.0203(6) Uani 1 1 d .
C5 C 0.79020(15) 0.4805(3) 0.74471(18) 0.0203(6) Uani 1 1 d .
H5 H 0.8040 0.5582 0.7743 0.024 Uiso 1 1 calc R
C6 C 0.81562(15) 0.3578(3) 0.78178(19) 0.0193(6) Uani 1 1 d .
C7 C 0.79544(16) 0.2427(3) 0.73709(19) 0.0206(6) Uani 1 1 d .
H7 H 0.8115 0.1602 0.7614 0.025 Uiso 1 1 calc R
C8 C 0.75104(15) 0.2499(3) 0.65564(18) 0.0170(6) Uani 1 1 d .
C9 C 0.73215(14) 0.1229(3) 0.60888(18) 0.0181(6) Uani 1 1 d .
C10 C 0.5820(2) 0.0467(4) 0.4631(2) 0.0424(11) Uani 1 1 d .
H10 H 0.6079 0.1047 0.5050 0.051 Uiso 1 1 calc R
C11 C 0.5309(2) 0.0994(4) 0.3917(2) 0.0425(10) Uani 1 1 d .
H11 H 0.5237 0.1909 0.3865 0.051 Uiso 1 1 calc R
C12 C 0.49087(16) 0.0167(3) 0.3284(2) 0.0268(7) Uani 1 1 d .
C13 C 0.43555(15) 0.0699(3) 0.25160(19) 0.0250(7) Uani 1 1 d .
C14 C 0.38751(17) -0.0114(4) 0.1937(2) 0.0311(8) Uani 1 1 d .
H14 H 0.3893 -0.1029 0.2018 0.037 Uiso 1 1 calc R
C15 C 0.33633(16) 0.0441(3) 0.1229(2) 0.0279(7) Uani 1 1 d .
H15 H 0.3045 -0.0126 0.0849 0.034 Uiso 1 1 calc R
C16 C 0.37742(18) 0.2534(3) 0.1625(2) 0.0307(8) Uani 1 1 d .
H16 H 0.3746 0.3442 0.1522 0.037 Uiso 1 1 calc R
C17 C 0.42997(17) 0.2067(4) 0.2349(2) 0.0338(8) Uani 1 1 d .
H17 H 0.4611 0.2656 0.2720 0.041 Uiso 1 1 calc R
C18 C 0.5063(2) -0.1182(4) 0.3404(2) 0.0401(10) Uani 1 1 d .
H18 H 0.4817 -0.1783 0.2993 0.048 Uiso 1 1 calc R
C19 C 0.5581(2) -0.1635(4) 0.4133(2) 0.0397(10) Uani 1 1 d .
H19 H 0.5672 -0.2542 0.4199 0.048 Uiso 1 1 calc R
O9 O 0.9490(2) 0.1316(7) 0.9390(4) 0.187(4) Uani 1 1 d GU
H9A H 0.9656 0.2022 0.9395 0.280 Uiso 1 1 d G
H9B H 0.9459 0.0803 0.9069 0.280 Uiso 1 1 d G
O8 O 0.5202(3) 0.4732(7) 0.3617(3) 0.232(6) Uani 1 1 d GU
H8A H 0.5039 0.5501 0.3515 0.348 Uiso 1 1 d G
H8B H 0.5363 0.4507 0.4077 0.348 Uiso 1 1 d G
O10 O 0.5535(2) 0.0810(6) 0.5725(4) 0.247(6) Uani 1 1 d GU
H10A H 0.5214 0.1252 0.5553 0.370 Uiso 1 1 d G
H10B H 0.5739 0.1240 0.5638 0.370 Uiso 1 1 d G
O11 O 0.57105(18) 0.3331(6) 0.5623(3) 0.220(5) Uani 1 1 d GU
O12 O 0.8635(3) 0.8375(6) 0.7795(5) 0.280(7) Uani 1 1 d GU
H12A H 0.8896 0.7747 0.7968 0.420 Uiso 1 1 d G
H12B H 0.8315 0.7996 0.7669 0.420 Uiso 1 1 d G
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
O1 Ni1 O1 180.000(1) . 7_656
O1 Ni1 N1 86.52(10) . 2_655
O1 Ni1 N1 93.48(10) 7_656 2_655
O1 Ni1 N1 93.48(10) . 8_556
O1 Ni1 N1 86.52(10) 7_656 8_556
N1 Ni1 N1 180.000(1) 2_655 8_556
O1 Ni1 O2 91.47(9) . .
O1 Ni1 O2 88.53(9) 7_656 .
N1 Ni1 O2 88.87(10) 2_655 .
N1 Ni1 O2 91.13(10) 8_556 .
O1 Ni1 O2 88.53(9) . 7_656
O1 Ni1 O2 91.47(9) 7_656 7_656
N1 Ni1 O2 91.13(10) 2_655 7_656
N1 Ni1 O2 88.87(10) 8_556 7_656
O2 Ni1 O2 180.00(14) . 7_656
O5 Ni2 N3 97.85(11) . .
O5 Ni2 O7 92.11(12) . .
N3 Ni2 O7 87.93(13) . .
O5 Ni2 O3 98.18(10) . 1_545
N3 Ni2 O3 163.73(10) . 1_545
O7 Ni2 O3 88.71(12) . 1_545
O5 Ni2 O4 160.49(10) . 1_545
N3 Ni2 O4 101.65(11) . 1_545
O7 Ni2 O4 88.36(12) . 1_545
O3 Ni2 O4 62.33(10) 1_545 1_545
O5 Ni2 N4 87.50(10) . 4_646
N3 Ni2 N4 92.51(12) . 4_646
O7 Ni2 N4 179.45(13) . 4_646
O3 Ni2 N4 90.96(11) 1_545 4_646
O4 Ni2 N4 91.88(11) 1_545 4_646
O5 Ni2 C4 129.35(11) . 1_545
N3 Ni2 C4 132.78(11) . 1_545
O7 Ni2 C4 88.70(11) . 1_545
O3 Ni2 C4 31.18(10) 1_545 1_545
O4 Ni2 C4 31.15(11) 1_545 1_545
N4 Ni2 C4 91.24(11) 4_646 1_545
C9 O1 Ni1 137.0(2) . .
C1 O2 Ni1 116.37(19) . .
C4 O3 Ni2 90.04(19) . 1_565
C4 O4 Ni2 88.03(19) . 1_565
C9 O5 Ni2 132.1(2) . .
C15 N1 C16 116.9(3) . .
C15 N1 Ni1 120.7(2) . 2_655
C16 N1 Ni1 122.3(2) . 2_655
Ni2 O7 H7A 109.3 . .
Ni2 O7 H7B 109.6 . .
H7A O7 H7B 104.5 . .
C10 N3 C19 117.2(3) . .
C10 N3 Ni2 121.2(2) . .
C19 N3 Ni2 121.2(2) . .
C6 N4 Ni2 115.9(2) . 4_656
C6 N4 H4A 108.3 . .
Ni2 N4 H4A 108.3 4_656 .
C6 N4 H4B 108.3 . .
Ni2 N4 H4B 108.3 4_656 .
H4A N4 H4B 107.4 . .
O6 C1 O2 125.2(3) . .
O6 C1 C2 118.1(3) . .
O2 C1 C2 116.6(3) . .
C8 C2 C3 118.3(3) . .
C8 C2 C1 119.6(3) . .
C3 C2 C1 122.1(3) . .
C5 C3 C2 120.8(3) . .
C5 C3 C4 117.0(3) . .
C2 C3 C4 122.2(3) . .
O4 C4 O3 119.6(3) . .
O4 C4 C3 121.1(3) . .
O3 C4 C3 119.3(3) . .
O4 C4 Ni2 60.81(16) . 1_565
O3 C4 Ni2 58.78(16) . 1_565
C3 C4 Ni2 176.6(2) . 1_565
C3 C5 C6 120.5(3) . .
C3 C5 H5 119.8 . .
C6 C5 H5 119.8 . .
C7 C6 C5 119.3(3) . .
C7 C6 N4 121.4(3) . .
C5 C6 N4 119.3(3) . .
C6 C7 C8 120.3(3) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C7 C8 C2 120.7(3) . .
C7 C8 C9 118.8(3) . .
C2 C8 C9 120.5(3) . .
O1 C9 O5 124.5(3) . .
O1 C9 C8 119.8(3) . .
O5 C9 C8 115.7(3) . .
N3 C10 C11 123.1(4) . .
N3 C10 H10 118.5 . .
C11 C10 H10 118.5 . .
C12 C11 C10 120.4(4) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C18 116.1(3) . .
C11 C12 C13 121.6(3) . .
C18 C12 C13 122.3(3) . .
C14 C13 C17 117.0(3) . .
C14 C13 C12 122.3(3) . .
C17 C13 C12 120.8(3) . .
C13 C14 C15 119.8(3) . .
C13 C14 H14 120.1 . .
C15 C14 H14 120.1 . .
N1 C15 C14 123.5(3) . .
N1 C15 H15 118.3 . .
C14 C15 H15 118.3 . .
N1 C16 C17 123.4(3) . .
N1 C16 H16 118.3 . .
C17 C16 H16 118.3 . .
C16 C17 C13 119.4(3) . .
C16 C17 H17 120.3 . .
C13 C17 H17 120.3 . .
C19 C18 C12 120.3(4) . .
C19 C18 H18 119.8 . .
C12 C18 H18 119.8 . .
N3 C19 C18 122.9(3) . .
N3 C19 H19 118.5 . .
C18 C19 H19 118.5 . .
H9A O9 H9B 104.5 . .
H8A O8 H8B 109.5 . .
H10A O10 H10B 109.4 . .
H12A O12 H12B 104.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 2.081(2) .
Ni1 O1 2.081(2) 7_656
Ni1 N1 2.104(3) 2_655
Ni1 N1 2.104(3) 8_556
Ni1 O2 2.107(2) .
Ni1 O2 2.107(2) 7_656
Ni2 O5 2.030(2) .
Ni2 N3 2.072(3) .
Ni2 O7 2.073(3) .
Ni2 O3 2.092(2) 1_545
Ni2 O4 2.137(2) 1_545
Ni2 N4 2.143(3) 4_646
Ni2 C4 2.446(3) 1_545
O1 C9 1.254(4) .
O2 C1 1.277(4) .
O3 C4 1.267(4) .
O3 Ni2 2.092(2) 1_565
O4 C4 1.266(4) .
O4 Ni2 2.137(2) 1_565
O5 C9 1.259(4) .
O6 C1 1.240(4) .
N1 C15 1.336(4) .
N1 C16 1.339(5) .
N1 Ni1 2.104(3) 2_655
O7 H7A 0.8503 .
O7 H7B 0.8504 .
N3 C10 1.329(5) .
N3 C19 1.333(5) .
N4 C6 1.427(4) .
N4 Ni2 2.143(3) 4_656
N4 H4A 0.9000 .
N4 H4B 0.9000 .
C1 C2 1.521(4) .
C2 C8 1.400(4) .
C2 C3 1.402(4) .
C3 C5 1.390(4) .
C3 C4 1.498(4) .
C4 Ni2 2.446(3) 1_565
C5 C6 1.394(4) .
C5 H5 0.9300 .
C6 C7 1.388(4) .
C7 C8 1.398(5) .
C7 H7 0.9300 .
C8 C9 1.512(4) .
C10 C11 1.390(5) .
C10 H10 0.9300 .
C11 C12 1.379(5) .
C11 H11 0.9300 .
C12 C18 1.392(5) .
C12 C13 1.484(5) .
C13 C14 1.381(5) .
C13 C17 1.403(5) .
C14 C15 1.394(5) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.391(5) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.385(5) .
C18 H18 0.9300 .
C19 H19 0.9300 .
O9 H9A 0.8500 .
O9 H9B 0.8500 .
O8 H8A 0.8499 .
O8 H8B 0.8497 .
O10 H10A 0.8502 .
O10 H10B 0.8501 .
O12 H12A 0.8500 .
O12 H12B 0.8501 .
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_4
O1 Ni1 O1 C9 108(100) 7_656 .
N1 Ni1 O1 C9 -136.9(3) 2_655 .
N1 Ni1 O1 C9 43.1(3) 8_556 .
O2 Ni1 O1 C9 -48.1(3) . .
O2 Ni1 O1 C9 131.9(3) 7_656 .
O1 Ni1 O2 C1 7.7(2) . .
O1 Ni1 O2 C1 -172.3(2) 7_656 .
N1 Ni1 O2 C1 94.2(2) 2_655 .
N1 Ni1 O2 C1 -85.8(2) 8_556 .
O2 Ni1 O2 C1 -37(100) 7_656 .
N3 Ni2 O5 C9 -60.3(3) . .
O7 Ni2 O5 C9 27.9(3) . .
O3 Ni2 O5 C9 116.9(3) 1_545 .
O4 Ni2 O5 C9 118.9(4) 1_545 .
N4 Ni2 O5 C9 -152.5(3) 4_646 .
C4 Ni2 O5 C9 117.9(3) 1_545 .
O5 Ni2 N3 C10 -6.5(4) . .
O7 Ni2 N3 C10 -98.3(4) . .
O3 Ni2 N3 C10 -176.5(4) 1_545 .
O4 Ni2 N3 C10 173.8(3) 1_545 .
N4 Ni2 N3 C10 81.3(4) 4_646 .
C4 Ni2 N3 C10 175.4(3) 1_545 .
O5 Ni2 N3 C19 165.9(3) . .
O7 Ni2 N3 C19 74.0(3) . .
O3 Ni2 N3 C19 -4.2(6) 1_545 .
O4 Ni2 N3 C19 -13.9(4) 1_545 .
N4 Ni2 N3 C19 -106.3(3) 4_646 .
C4 Ni2 N3 C19 -12.3(4) 1_545 .
Ni1 O2 C1 O6 -111.0(3) . .
Ni1 O2 C1 C2 68.3(3) . .
O6 C1 C2 C8 86.7(4) . .
O2 C1 C2 C8 -92.6(4) . .
O6 C1 C2 C3 -94.8(4) . .
O2 C1 C2 C3 85.9(4) . .
C8 C2 C3 C5 0.6(5) . .
C1 C2 C3 C5 -177.8(3) . .
C8 C2 C3 C4 -180.0(3) . .
C1 C2 C3 C4 1.5(5) . .
Ni2 O4 C4 O3 -1.4(3) 1_565 .
Ni2 O4 C4 C3 176.7(3) 1_565 .
Ni2 O3 C4 O4 1.4(3) 1_565 .
Ni2 O3 C4 C3 -176.7(3) 1_565 .
C5 C3 C4 O4 -155.4(3) . .
C2 C3 C4 O4 25.2(5) . .
C5 C3 C4 O3 22.7(5) . .
C2 C3 C4 O3 -156.7(3) . .
C5 C3 C4 Ni2 -33(4) . 1_565
C2 C3 C4 Ni2 148(4) . 1_565
C2 C3 C5 C6 -2.0(5) . .
C4 C3 C5 C6 178.6(3) . .
C3 C5 C6 C7 1.0(5) . .
C3 C5 C6 N4 -176.3(3) . .
Ni2 N4 C6 C7 -94.4(3) 4_656 .
Ni2 N4 C6 C5 82.8(3) 4_656 .
C5 C6 C7 C8 1.4(5) . .
N4 C6 C7 C8 178.6(3) . .
C6 C7 C8 C2 -2.7(5) . .
C6 C7 C8 C9 177.5(3) . .
C3 C2 C8 C7 1.7(5) . .
C1 C2 C8 C7 -179.8(3) . .
C3 C2 C8 C9 -178.6(3) . .
C1 C2 C8 C9 0.0(5) . .
Ni1 O1 C9 O5 178.2(2) . .
Ni1 O1 C9 C8 -0.5(5) . .
Ni2 O5 C9 O1 -8.4(5) . .
Ni2 O5 C9 C8 170.4(2) . .
C7 C8 C9 O1 -130.5(3) . .
C2 C8 C9 O1 49.8(4) . .
C7 C8 C9 O5 50.7(4) . .
C2 C8 C9 O5 -129.0(3) . .
C19 N3 C10 C11 0.7(7) . .
Ni2 N3 C10 C11 173.4(4) . .
N3 C10 C11 C12 0.9(8) . .
C10 C11 C12 C18 -2.2(7) . .
C10 C11 C12 C13 179.3(4) . .
C11 C12 C13 C14 -164.1(4) . .
C18 C12 C13 C14 17.5(6) . .
C11 C12 C13 C17 15.7(6) . .
C18 C12 C13 C17 -162.6(4) . .
C17 C13 C14 C15 -0.6(6) . .
C12 C13 C14 C15 179.3(4) . .
C16 N1 C15 C14 0.4(6) . .
Ni1 N1 C15 C14 -177.5(3) 2_655 .
C13 C14 C15 N1 0.3(6) . .
C15 N1 C16 C17 -0.9(6) . .
Ni1 N1 C16 C17 177.0(3) 2_655 .
N1 C16 C17 C13 0.6(7) . .
C14 C13 C17 C16 0.1(6) . .
C12 C13 C17 C16 -179.8(4) . .
C11 C12 C18 C19 2.1(7) . .
C13 C12 C18 C19 -179.5(4) . .
C10 N3 C19 C18 -0.8(7) . .
Ni2 N3 C19 C18 -173.5(4) . .
C12 C18 C19 N3 -0.6(8) . .
