#------------------------------------------------------------------------------
#$Date: 2015-09-18 09:12:22 +0300 (Fri, 18 Sep 2015) $
#$Revision: 157793 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/22/7222216.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_7222216
loop_
_publ_author_name
'Wang, Xiao-Feng'
'Yu, Min'
'Liu, Guang-Xiang'
_publ_section_title
;
 A series of coordination polymers based on varied polycarboxylates and
 different imidazole-containing ligands: Syntheses, crystal structures and
 physical properties
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA16112F
_journal_year                    2015
_chemical_formula_moiety         'C26 H28 N4 Ni O5'
_chemical_formula_sum            'C26 H28 N4 Ni O5'
_chemical_formula_weight         535.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.9120(10)
_cell_angle_beta                 94.2520(10)
_cell_angle_gamma                106.0960(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2427(9)
_cell_length_b                   11.0898(10)
_cell_length_c                   11.8660(10)
_cell_measurement_reflns_used    5741
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      2.41
_cell_volume                     1228.84(19)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_sigmaI/netI    0.0286
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9751
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    0.835
_exptl_absorpt_correction_T_max  0.9065
_exptl_absorpt_correction_T_min  0.8509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SAGABS(Bruker, 2000)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.666
_refine_diff_density_min         -1.255
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         4560
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0431
_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)+(0.0522P)²+1.9491P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1071
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                4124
_reflns_number_total             4560
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra16112f2.cif
_cod_data_source_block           CEC7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_database_code               7222216
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.60971(3) 0.40009(3) 0.14676(3) 0.01899(12) Uani 1 1 d .
N1 N 0.6471(2) 0.5296(2) 0.3188(2) 0.0268(5) Uani 1 1 d .
N2 N 0.6331(3) 0.6868(2) 0.4739(2) 0.0309(5) Uani 1 1 d .
N3 N 0.4819(2) 0.8433(2) 0.2111(2) 0.0263(5) Uani 1 1 d .
N4 N 0.4234(2) 0.7355(2) 0.0203(2) 0.0248(5) Uani 1 1 d .
O1 O 0.44117(18) 0.26325(18) 0.18963(17) 0.0240(4) Uani 1 1 d .
O2 O 0.40571(18) 0.41869(18) 0.12109(17) 0.0238(4) Uani 1 1 d .
O3 O -0.0588(2) 0.4973(2) 0.1502(2) 0.0446(6) Uani 1 1 d .
O4 O -0.22645(18) 0.34368(19) 0.18923(17) 0.0259(4) Uani 1 1 d .
O1W O 0.7176(2) 0.5566(2) 0.0929(2) 0.0296(4) Uani 1 1 d D
H1WA H 0.794(2) 0.547(4) 0.096(3) 0.047(11) Uiso 1 1 d D
H1WB H 0.690(4) 0.560(4) 0.025(2) 0.064(13) Uiso 1 1 d D
C1 C 0.3610(3) 0.3216(2) 0.1600(2) 0.0206(5) Uani 1 1 d .
C2 C 0.2122(3) 0.2768(3) 0.1731(2) 0.0210(5) Uani 1 1 d .
C3 C 0.1291(3) 0.3568(3) 0.1706(2) 0.0235(5) Uani 1 1 d .
H3 H 0.1653 0.4397 0.1615 0.028 Uiso 1 1 calc R
C4 C -0.0089(3) 0.3112(3) 0.1819(2) 0.0233(5) Uani 1 1 d .
C5 C -0.0615(3) 0.1873(3) 0.1957(2) 0.0251(6) Uani 1 1 d .
H5 H -0.1532 0.1589 0.2049 0.030 Uiso 1 1 calc R
C6 C 0.0189(3) 0.1039(3) 0.1961(2) 0.0234(5) Uani 1 1 d .
C7 C 0.1567(3) 0.1522(3) 0.1855(2) 0.0229(5) Uani 1 1 d .
H7 H 0.2134 0.0999 0.1867 0.028 Uiso 1 1 calc R
C8 C -0.1042(3) 0.3921(3) 0.1728(2) 0.0259(6) Uani 1 1 d .
C9 C -0.0430(4) -0.0340(3) 0.2079(4) 0.0492(5) Uani 1 1 d .
C10 C 0.0279(4) -0.1301(3) 0.1420(4) 0.0492(5) Uani 1 1 d .
H10A H 0.1239 -0.0992 0.1752 0.074 Uiso 1 1 calc R
H10B H 0.0180 -0.1357 0.0595 0.074 Uiso 1 1 calc R
H10C H -0.0136 -0.2157 0.1500 0.074 Uiso 1 1 calc R
C11 C -0.0278(4) -0.0251(3) 0.3381(4) 0.0492(5) Uani 1 1 d .
H11A H 0.0681 0.0080 0.3720 0.074 Uiso 1 1 calc R
H11B H -0.0671 -0.1112 0.3458 0.074 Uiso 1 1 calc R
H11C H -0.0746 0.0334 0.3790 0.074 Uiso 1 1 calc R
C12 C -0.1948(4) -0.0913(3) 0.1525(4) 0.0492(5) Uani 1 1 d .
H12A H -0.2286 -0.1814 0.1519 0.074 Uiso 1 1 calc R
H12B H -0.2050 -0.0876 0.0725 0.074 Uiso 1 1 calc R
H12C H -0.2462 -0.0410 0.1981 0.074 Uiso 1 1 calc R
C13 C 0.5661(3) 0.5927(3) 0.3718(3) 0.0305(6) Uani 1 1 d .
H13 H 0.4737 0.5745 0.3424 0.037 Uiso 1 1 calc R
C14 C 0.7719(3) 0.5850(3) 0.3922(3) 0.0442(8) Uani 1 1 d .
H14 H 0.8501 0.5597 0.3784 0.053 Uiso 1 1 calc R
C15 C 0.7649(3) 0.6813(4) 0.4871(3) 0.0457(9) Uani 1 1 d .
H15 H 0.8358 0.7339 0.5495 0.055 Uiso 1 1 calc R
C16 C 0.4392(3) 0.7777(3) 0.5023(3) 0.0322(7) Uani 1 1 d .
C17 C 0.3314(4) 0.7305(4) 0.5597(3) 0.0456(9) Uani 1 1 d .
H17 H 0.3506 0.7105 0.6291 0.055 Uiso 1 1 calc R
C18 C 0.1976(4) 0.7130(4) 0.5158(4) 0.0573(10) Uani 1 1 d .
H18 H 0.1269 0.6824 0.5557 0.069 Uiso 1 1 calc R
C19 C 0.1680(4) 0.7410(5) 0.4118(4) 0.0605(11) Uani 1 1 d .
H19 H 0.0772 0.7271 0.3805 0.073 Uiso 1 1 calc R
C20 C 0.2739(4) 0.7897(4) 0.3546(3) 0.0448(8) Uani 1 1 d .
H20 H 0.2534 0.8089 0.2851 0.054 Uiso 1 1 calc R
C21 C 0.4097(3) 0.8104(3) 0.3990(3) 0.0308(6) Uani 1 1 d .
C22 C 0.4667(3) 0.7297(3) 0.1252(2) 0.0270(6) Uani 1 1 d .
H22 H 0.4844 0.6565 0.1384 0.032 Uiso 1 1 calc R
C23 C 0.4467(3) 0.9268(3) 0.1570(3) 0.0327(6) Uani 1 1 d .
H23 H 0.4476 1.0127 0.1936 0.039 Uiso 1 1 calc R
C24 C 0.4103(3) 0.8596(3) 0.0401(3) 0.0332(7) Uani 1 1 d .
H24 H 0.3808 0.8921 -0.0181 0.040 Uiso 1 1 calc R
C47 C 0.5824(4) 0.7879(3) 0.5510(3) 0.0378(7) Uani 1 1 d .
H47A H 0.6437 0.8749 0.5586 0.045 Uiso 1 1 calc R
H47B H 0.5837 0.7774 0.6296 0.045 Uiso 1 1 calc R
C53 C 0.5253(3) 0.8687(3) 0.3378(2) 0.0327(6) Uani 1 1 d .
H53A H 0.5609 0.9632 0.3761 0.039 Uiso 1 1 calc R
H53B H 0.5995 0.8320 0.3477 0.039 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'
Ni Ni 0.3393 1.1124 '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'
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
O4 Ni1 N4 88.07(8) 1_655 2_665
O4 Ni1 O1W 96.57(8) 1_655 .
N4 Ni1 O1W 93.61(9) 2_665 .
O4 Ni1 N1 89.27(9) 1_655 .
N4 Ni1 N1 176.82(9) 2_665 .
O1W Ni1 N1 88.43(9) . .
O4 Ni1 O1 103.08(7) 1_655 .
N4 Ni1 O1 88.18(8) 2_665 .
O1W Ni1 O1 160.32(8) . .
N1 Ni1 O1 90.73(8) . .
O4 Ni1 O2 164.28(7) 1_655 .
N4 Ni1 O2 92.27(8) 2_665 .
O1W Ni1 O2 99.09(7) . .
N1 Ni1 O2 89.82(8) . .
O1 Ni1 O2 61.24(7) . .
C13 N1 C14 105.1(2) . .
C13 N1 Ni1 128.18(19) . .
C14 N1 Ni1 125.8(2) . .
C13 N2 C15 106.5(2) . .
C13 N2 C47 127.8(3) . .
C15 N2 C47 125.4(3) . .
C22 N3 C23 107.0(2) . .
C22 N3 C53 125.3(2) . .
C23 N3 C53 127.6(2) . .
C22 N4 C24 105.6(2) . .
C22 N4 Ni1 130.47(19) . 2_665
C24 N4 Ni1 123.80(19) . 2_665
C1 O1 Ni1 89.38(15) . .
C1 O2 Ni1 88.76(15) . .
C8 O4 Ni1 125.83(17) . 1_455
Ni1 O1W H1WA 101(3) . .
Ni1 O1W H1WB 118(3) . .
H1WA O1W H1WB 111(4) . .
O1 C1 O2 120.6(2) . .
O1 C1 C2 119.5(2) . .
O2 C1 C2 119.9(2) . .
C3 C2 C7 120.0(2) . .
C3 C2 C1 121.0(2) . .
C7 C2 C1 119.0(2) . .
C4 C3 C2 119.2(2) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C5 C4 C3 119.8(2) . .
C5 C4 C8 119.5(2) . .
C3 C4 C8 120.7(2) . .
C4 C5 C6 122.3(2) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
C7 C6 C5 116.8(2) . .
C7 C6 C9 122.1(3) . .
C5 C6 C9 121.1(3) . .
C6 C7 C2 121.9(2) . .
C6 C7 H7 119.0 . .
C2 C7 H7 119.0 . .
O3 C8 O4 125.7(2) . .
O3 C8 C4 118.9(2) . .
O4 C8 C4 115.4(2) . .
C11 C9 C12 109.8(3) . .
C11 C9 C10 109.6(3) . .
C12 C9 C10 106.3(3) . .
C11 C9 C6 109.2(3) . .
C12 C9 C6 110.7(3) . .
C10 C9 C6 111.2(3) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 N2 111.8(3) . .
N1 C13 H13 124.1 . .
N2 C13 H13 124.1 . .
C15 C14 N1 110.0(3) . .
C15 C14 H14 125.0 . .
N1 C14 H14 125.0 . .
C14 C15 N2 106.6(3) . .
C14 C15 H15 126.7 . .
N2 C15 H15 126.7 . .
C17 C16 C21 119.1(3) . .
C17 C16 C47 118.7(3) . .
C21 C16 C47 122.1(3) . .
C18 C17 C16 121.2(3) . .
C18 C17 H17 119.4 . .
C16 C17 H17 119.4 . .
C17 C18 C19 119.7(3) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C20 C19 C18 119.8(4) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C21 C20 C19 121.2(3) . .
C21 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
C20 C21 C16 118.9(3) . .
C20 C21 C53 120.6(3) . .
C16 C21 C53 120.5(3) . .
N4 C22 N3 111.3(2) . .
N4 C22 H22 124.3 . .
N3 C22 H22 124.3 . .
C24 C23 N3 106.4(2) . .
C24 C23 H23 126.8 . .
N3 C23 H23 126.8 . .
C23 C24 N4 109.6(3) . .
C23 C24 H24 125.2 . .
N4 C24 H24 125.2 . .
N2 C47 C16 112.0(2) . .
N2 C47 H47A 109.2 . .
C16 C47 H47A 109.2 . .
N2 C47 H47B 109.2 . .
C16 C47 H47B 109.2 . .
H47A C47 H47B 107.9 . .
N3 C53 C21 113.2(2) . .
N3 C53 H53A 108.9 . .
C21 C53 H53A 108.9 . .
N3 C53 H53B 108.9 . .
C21 C53 H53B 108.9 . .
H53A C53 H53B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O4 2.0227(18) 1_655
Ni1 N4 2.071(2) 2_665
Ni1 O1W 2.072(2) .
Ni1 N1 2.086(2) .
Ni1 O1 2.1548(18) .
Ni1 O2 2.1634(18) .
N1 C13 1.316(4) .
N1 C14 1.370(4) .
N2 C13 1.346(4) .
N2 C15 1.367(4) .
N2 C47 1.482(4) .
N3 C22 1.347(4) .
N3 C23 1.369(4) .
N3 C53 1.462(4) .
N4 C22 1.315(4) .
N4 C24 1.377(4) .
N4 Ni1 2.071(2) 2_665
O1 C1 1.262(3) .
O2 C1 1.270(3) .
O3 C8 1.241(3) .
O4 C8 1.271(3) .
O4 Ni1 2.0228(18) 1_455
O1W H1WA 0.821(19) .
O1W H1WB 0.840(19) .
C1 C2 1.501(4) .
C2 C3 1.393(4) .
C2 C7 1.394(4) .
C3 C4 1.393(4) .
C3 H3 0.9300 .
C4 C5 1.389(4) .
C4 C8 1.514(4) .
C5 C6 1.399(4) .
C5 H5 0.9300 .
C6 C7 1.393(4) .
C6 C9 1.534(4) .
C7 H7 0.9300 .
C9 C11 1.514(5) .
C9 C12 1.524(5) .
C9 C10 1.527(5) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13 0.9300 .
C14 C15 1.345(5) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.394(5) .
C16 C21 1.406(4) .
C16 C47 1.499(4) .
C17 C18 1.371(6) .
C17 H17 0.9300 .
C18 C19 1.385(6) .
C18 H18 0.9300 .
C19 C20 1.384(5) .
C19 H19 0.9300 .
C20 C21 1.383(5) .
C20 H20 0.9300 .
C21 C53 1.518(4) .
C22 H22 0.9300 .
C23 C24 1.350(4) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
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
O4 Ni1 N1 C13 -167.2(3) 1_655
N4 Ni1 N1 C13 -133.9(15) 2_665
O1W Ni1 N1 C13 96.3(3) .
O1 Ni1 N1 C13 -64.1(3) .
O2 Ni1 N1 C13 -2.8(3) .
O4 Ni1 N1 C14 25.8(3) 1_655
N4 Ni1 N1 C14 59.1(17) 2_665
O1W Ni1 N1 C14 -70.8(3) .
O1 Ni1 N1 C14 128.9(3) .
O2 Ni1 N1 C14 -169.9(3) .
O4 Ni1 O1 C1 177.98(15) 1_655
N4 Ni1 O1 C1 -94.42(16) 2_665
O1W Ni1 O1 C1 1.2(3) .
N1 Ni1 O1 C1 88.56(16) .
O2 Ni1 O1 C1 -0.83(14) .
O4 Ni1 O2 C1 -3.5(4) 1_655
N4 Ni1 O2 C1 87.49(15) 2_665
O1W Ni1 O2 C1 -178.49(15) .
N1 Ni1 O2 C1 -90.10(16) .
O1 Ni1 O2 C1 0.82(14) .
Ni1 O1 C1 O2 1.4(2) .
Ni1 O1 C1 C2 -177.5(2) .
Ni1 O2 C1 O1 -1.4(2) .
Ni1 O2 C1 C2 177.5(2) .
O1 C1 C2 C3 163.6(2) .
O2 C1 C2 C3 -15.4(4) .
O1 C1 C2 C7 -17.6(4) .
O2 C1 C2 C7 163.4(2) .
C7 C2 C3 C4 0.7(4) .
C1 C2 C3 C4 179.4(2) .
C2 C3 C4 C5 0.1(4) .
C2 C3 C4 C8 -176.6(2) .
C3 C4 C5 C6 -1.4(4) .
C8 C4 C5 C6 175.3(3) .
C4 C5 C6 C7 1.8(4) .
C4 C5 C6 C9 -178.2(3) .
C5 C6 C7 C2 -1.0(4) .
C9 C6 C7 C2 179.1(3) .
C3 C2 C7 C6 -0.2(4) .
C1 C2 C7 C6 -179.0(2) .
Ni1 O4 C8 O3 15.0(4) 1_455
Ni1 O4 C8 C4 -164.74(17) 1_455
C5 C4 C8 O3 -173.8(3) .
C3 C4 C8 O3 2.9(4) .
C5 C4 C8 O4 6.0(4) .
C3 C4 C8 O4 -177.3(2) .
C7 C6 C9 C11 89.9(4) .
C5 C6 C9 C11 -90.0(4) .
C7 C6 C9 C12 -149.1(3) .
C5 C6 C9 C12 31.0(4) .
C7 C6 C9 C10 -31.1(4) .
C5 C6 C9 C10 148.9(3) .
C14 N1 C13 N2 1.1(4) .
Ni1 N1 C13 N2 -168.05(19) .
C15 N2 C13 N1 -1.0(4) .
C47 N2 C13 N1 172.4(3) .
C13 N1 C14 C15 -0.8(4) .
Ni1 N1 C14 C15 168.7(3) .
N1 C14 C15 N2 0.2(4) .
C13 N2 C15 C14 0.4(4) .
C47 N2 C15 C14 -173.1(3) .
C21 C16 C17 C18 1.4(5) .
C47 C16 C17 C18 -176.8(3) .
C16 C17 C18 C19 0.8(6) .
C17 C18 C19 C20 -1.7(7) .
C18 C19 C20 C21 0.5(7) .
C19 C20 C21 C16 1.7(5) .
C19 C20 C21 C53 -177.7(3) .
C17 C16 C21 C20 -2.6(4) .
C47 C16 C21 C20 175.5(3) .
C17 C16 C21 C53 176.8(3) .
C47 C16 C21 C53 -5.1(4) .
C24 N4 C22 N3 0.0(3) .
Ni1 N4 C22 N3 176.27(18) 2_665
C23 N3 C22 N4 -0.3(3) .
C53 N3 C22 N4 178.5(2) .
C22 N3 C23 C24 0.5(3) .
C53 N3 C23 C24 -178.3(3) .
N3 C23 C24 N4 -0.5(4) .
C22 N4 C24 C23 0.3(3) .
Ni1 N4 C24 C23 -176.3(2) 2_665
C13 N2 C47 C16 -0.6(5) .
C15 N2 C47 C16 171.6(3) .
C17 C16 C47 N2 108.4(3) .
C21 C16 C47 N2 -69.7(4) .
C22 N3 C53 C21 -79.7(4) .
C23 N3 C53 C21 98.8(3) .
C20 C21 C53 N3 -26.2(4) .
C16 C21 C53 N3 154.4(3) .
