#------------------------------------------------------------------------------
#$Date: 2025-08-19 13:52:15 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301804 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/50/2215048.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2215048
loop_
_publ_author_name
'S. Anbu'
'M. Kandaswamy'
'Babu Varghese'
_publ_section_title
;A binuclear unsymmetrical compartmental NiII complex:
 [μ-11,24-dimethyl-16,19-dioxa-3,7,15,20-tetraazatricyclo[20.3.1.1^9,13^]heptacosa-1(25),2,7,9,11,13(27),14,20,22(26),23-decaene-26,27-diolato]bis[diaquanickel(II)]
 bis(perchlorate) tetrahydrate
;
_journal_coeditor_code           CI2420
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2330
_journal_page_last               m2331
_journal_paper_doi               10.1107/S1600536807039001
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni2 (C23 H24 N4 O4) (H2 O)4] (Cl O4)2, 4H2 O'
_chemical_formula_moiety         'C23 H32 N4 Ni2 O8, 2(Cl O4), 4(H2 O)'
_chemical_formula_sum            'C23 H40 Cl2 N4 Ni2 O20'
_chemical_formula_weight         880.91
_chemical_name_systematic
;
[μ-11,24-dimethyl-16,19-dioxa-3,7,15,20-
tetraazatricyclo[20.3.1.1^9,13^]heptacosa-
1(25),2,7,9,11,13(27),14,20,22(26),23-decaene-26,27-
diolato]bis[diaquanickel(II)] bis(perchlorate) tetrahydrate
;
_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                107.167(2)
_cell_angle_beta                 94.932(2)
_cell_angle_gamma                103.092(2)
_cell_formula_units_Z            1
_cell_length_a                   7.5227(3)
_cell_length_b                   10.3081(3)
_cell_length_c                   12.2764(5)
_cell_measurement_reflns_used    7997
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.5
_cell_measurement_theta_min      2.2
_cell_volume                     873.89(6)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al.,  1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.790
_diffrn_measurement_device_type  'Bruker Kappa-APEXII area-detector'
_diffrn_measurement_method       'ω and φ'
_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  0.0203
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24651
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         37.33
_diffrn_reflns_theta_min         1.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.318
_exptl_absorpt_correction_T_max  0.8254
_exptl_absorpt_correction_T_min  0.7321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.590
_refine_diff_density_min         -0.364
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         7176
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.067P)²+0.1283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                5831
_reflns_number_total             7176
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci2420.cif
_cod_data_source_block           I
_cod_database_code               2215048
_cod_database_fobs_code          2215048
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.0971(2) 0.15878(19) -0.23328(13) 0.0444(3) Uani d . 1 A .
H H1 0.1215 0.1875 -0.2968 0.053 Uiso calc R 1 . .
C C2 0.13711(19) 0.27002(16) -0.12198(13) 0.0371(3) Uani d . 1 . .
C C3 0.2263(2) 0.40586(18) -0.12170(15) 0.0428(3) Uani d . 1 . .
H H3 0.2584 0.4173 -0.1904 0.051 Uiso calc R 1 . .
C C4 0.26796(19) 0.52242(17) -0.02416(16) 0.0433(3) Uani d . 1 . .
C C5 0.2108(2) 0.50310(16) 0.07479(15) 0.0414(3) Uani d . 1 . .
H H5 0.2314 0.5814 0.1406 0.050 Uiso calc R 1 . .
C C6 0.12309(18) 0.37082(15) 0.08068(12) 0.0353(3) Uani d . 1 . .
C C7 0.08787(16) 0.24933(14) -0.01828(12) 0.0322(2) Uani d . 1 A .
C C8 0.0622(2) 0.37031(16) 0.18958(13) 0.0412(3) Uani d . 1 . .
H H8 0.0627 0.4570 0.2414 0.049 Uiso calc R 1 . .
C C9 0.3681(3) 0.66680(19) -0.0250(2) 0.0554(4) Uani d . 1 . .
H H9C 0.3963 0.6606 -0.1009 0.083 Uiso calc R 1 . .
H H9B 0.4809 0.7017 0.0297 0.083 Uiso calc R 1 . .
H H9A 0.2908 0.7297 -0.0044 0.083 Uiso calc R 1 . .
N N1 -0.00792(18) -0.26233(14) -0.22116(10) 0.0388(2) Uani d D 1 . .
N N2 0.03246(19) 0.02623(15) -0.25431(10) 0.0415(3) Uani d D 1 . .
O O5 0.0838(8) -0.2869(9) -0.3212(5) 0.0556(13) Uani d PD 0.50 A 1
O O6 0.0362(10) -0.0402(6) -0.3736(5) 0.0577(14) Uani d PD 0.50 A 1
C C13 -0.0346(6) -0.2933(5) -0.4219(3) 0.0556(9) Uani d PD 0.50 A 1
H H13A -0.1384 -0.3761 -0.4412 0.067 Uiso calc PR 0.50 A 1
H H13B 0.0337 -0.3050 -0.4861 0.067 Uiso calc PR 0.50 A 1
C C14 -0.1078(7) -0.1681(5) -0.4099(4) 0.0531(10) Uani d PD 0.50 A 1
H H14B -0.1774 -0.1781 -0.4835 0.064 Uiso calc PR 0.50 A 1
H H14A -0.1918 -0.1638 -0.3540 0.064 Uiso calc PR 0.50 A 1
C C10 -0.0080(15) -0.0655(8) -0.3768(6) 0.0563(18) Uani d PD 0.50 A 2
H H10B 0.1043 -0.0476 -0.4095 0.068 Uiso calc PR 0.50 A 2
H H10A -0.0988 -0.0351 -0.4173 0.068 Uiso calc PR 0.50 A 2
C C11 -0.0782(7) -0.2234(5) -0.4048(4) 0.0521(10) Uani d PD 0.50 A 2
H H11C -0.0815 -0.2676 -0.4868 0.063 Uiso calc PR 0.50 A 2
H H11D -0.2044 -0.2444 -0.3901 0.063 Uiso calc PR 0.50 A 2
C C12 0.0324(12) -0.2907(11) -0.3390(6) 0.0520(16) Uani d PD 0.50 A 2
H H12B 0.0008 -0.3916 -0.3779 0.062 Uiso calc PR 0.50 A 2
H H12A 0.1635 -0.2531 -0.3369 0.062 Uiso calc PR 0.50 A 2
O O1 0.29581(15) -0.01748(13) -0.08643(10) 0.0431(2) Uani d D 1 . .
O O2 0.00840(13) 0.12288(10) -0.01495(8) 0.03364(18) Uani d . 1 . .
O O3 -0.29405(15) -0.11087(13) -0.15299(10) 0.0420(2) Uani d D 1 . .
O O4 -0.5126(3) -0.3673(2) -0.30007(17) 0.0826(5) Uani d D 1 . .
O O7 0.6566(5) 0.3989(3) -0.4449(3) 0.1479(12) Uani d . 1 . .
O O8 0.5456(5) 0.1699(4) -0.5264(3) 0.1534(14) Uani d . 1 . .
O O9 0.4749(5) 0.2772(5) -0.3522(3) 0.1690(15) Uani d . 1 . .
O O10 0.7589(4) 0.2542(3) -0.3600(2) 0.1299(10) Uani d . 1 . .
O O11 -0.4866(3) 0.03465(19) -0.25509(14) 0.0650(4) Uani d D 1 . .
Cl Cl1 0.60736(8) 0.27329(6) -0.42118(4) 0.06240(13) Uani d . 1 . .
Ni Ni1 0.00424(2) -0.064272(18) -0.128772(13) 0.03218(6) Uani d D 1 . .
H H1A 0.3359(15) 0.028(2) -0.0145(8) 0.073(8) Uiso d D 1 . .
H H1B 0.3590(14) 0.023(2) -0.1257(13) 0.054(6) Uiso d D 1 . .
H H3B -0.3473(15) -0.1940(11) -0.191(2) 0.077(8) Uiso d D 1 . .
H H3A -0.3323(15) -0.0541(17) -0.180(2) 0.076(8) Uiso d D 1 . .
H H11A -0.518(5) -0.030(2) -0.3197(15) 0.110(13) Uiso d D 1 . .
H H11B -0.443(4) 0.1130(16) -0.266(2) 0.099(11) Uiso d D 1 . .
H H4A -0.498(6) -0.449(2) -0.318(3) 0.150(18) Uiso d D 1 . .
H H4B -0.589(4) -0.357(3) -0.348(2) 0.101(11) Uiso d D 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N2 C1 C2 . . 127.86(13)
N2 C1 H1 . . 116.1
C2 C1 H1 . . 116.1
C3 C2 C7 . . 119.81(14)
C3 C2 C1 . . 115.97(13)
C7 C2 C1 . . 124.19(13)
C4 C3 C2 . . 122.83(14)
C4 C3 H3 . . 118.6
C2 C3 H3 . . 118.6
C3 C4 C5 . . 117.12(14)
C3 C4 C9 . . 121.99(16)
C5 C4 C9 . . 120.87(16)
C4 C5 C6 . . 122.87(15)
C4 C5 H5 . . 118.6
C6 C5 H5 . . 118.6
C5 C6 C7 . . 120.13(13)
C5 C6 C8 . . 115.70(14)
C7 C6 C8 . . 124.03(13)
O2 C7 C2 . . 121.32(12)
O2 C7 C6 . . 121.57(12)
C2 C7 C6 . . 117.08(12)
N1 C8 C6 2 . 126.29(14)
N1 C8 H8 2 . 116.9
C6 C8 H8 . . 116.9
C4 C9 H9C . . 109.5
C4 C9 H9B . . 109.5
H9C C9 H9B . . 109.5
C4 C9 H9A . . 109.5
H9C C9 H9A . . 109.5
H9B C9 H9A . . 109.5
C8 N1 O5 2 . 114.5(3)
C8 N1 C12 2 . 115.8(4)
O5 N1 C12 . . 16.4(5)
C8 N1 Ni1 2 . 125.50(10)
O5 N1 Ni1 . . 118.8(3)
C12 N1 Ni1 . . 118.5(4)
C1 N2 O6 . . 106.9(3)
C1 N2 C10 . . 117.7(3)
O6 N2 C10 . . 14.2(5)
C1 N2 Ni1 . . 123.23(11)
O6 N2 Ni1 . . 127.8(3)
C10 N2 Ni1 . . 118.9(3)
C13 O5 N1 . . 111.0(4)
C14 O6 N2 . . 106.3(4)
O5 C13 C14 . . 114.9(4)
O5 C13 H13A . . 108.5
C14 C13 H13A . . 108.5
O5 C13 H13B . . 108.5
C14 C13 H13B . . 108.5
H13A C13 H13B . . 107.5
O6 C14 C13 . . 112.1(5)
O6 C14 H14B . . 109.2
C13 C14 H14B . . 109.2
O6 C14 H14A . . 109.2
C13 C14 H14A . . 109.2
H14B C14 H14A . . 107.9
N2 C10 C11 . . 119.2(5)
N2 C10 H10B . . 107.5
C11 C10 H10B . . 107.5
N2 C10 H10A . . 107.5
C11 C10 H10A . . 107.5
H10B C10 H10A . . 107.0
C10 C11 C12 . . 116.2(7)
C10 C11 H11C . . 108.2
C12 C11 H11C . . 108.2
C10 C11 H11D . . 108.2
C12 C11 H11D . . 108.2
H11C C11 H11D . . 107.4
N1 C12 C11 . . 109.9(5)
N1 C12 H12B . . 109.7
C11 C12 H12B . . 109.7
N1 C12 H12A . . 109.7
C11 C12 H12A . . 109.7
H12B C12 H12A . . 108.2
Ni1 O1 H1A . . 112.7(9)
Ni1 O1 H1B . . 117.1(9)
H1A O1 H1B . . 108.8(12)
C7 O2 Ni1 . . 127.60(8)
C7 O2 Ni1 . 2 126.25(9)
Ni1 O2 Ni1 . 2 98.36(4)
Ni1 O3 H3B . . 113.9(9)
Ni1 O3 H3A . . 111.3(9)
H3B O3 H3A . . 111.6(13)
H4A O4 H4B . . 113.0(17)
H11A O11 H11B . . 108.9(16)
O9 Cl1 O8 . . 112.2(3)
O9 Cl1 O7 . . 110.1(3)
O8 Cl1 O7 . . 105.8(2)
O9 Cl1 O10 . . 106.5(2)
O8 Cl1 O10 . . 112.06(19)
O7 Cl1 O10 . . 110.2(2)
N1 Ni1 O2 . . 170.85(4)
N1 Ni1 N2 . . 99.47(5)
O2 Ni1 N2 . . 89.65(5)
N1 Ni1 O2 . 2 89.29(5)
O2 Ni1 O2 . 2 81.64(4)
N2 Ni1 O2 . 2 170.78(5)
N1 Ni1 O1 . . 90.78(5)
O2 Ni1 O1 . . 89.95(4)
N2 Ni1 O1 . . 90.20(5)
O2 Ni1 O1 2 . 86.79(4)
N1 Ni1 O3 . . 91.14(5)
O2 Ni1 O3 . . 87.24(4)
N2 Ni1 O3 . . 95.21(5)
O2 Ni1 O3 2 . 87.43(4)
O1 Ni1 O3 . . 173.88(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 N2 . 1.280(2)
C1 C2 . 1.456(2)
C1 H1 . 0.93
C2 C3 . 1.408(2)
C2 C7 . 1.4174(18)
C3 C4 . 1.375(3)
C3 H3 . 0.93
C4 C5 . 1.376(2)
C4 C9 . 1.512(2)
C5 C6 . 1.400(2)
C5 H5 . 0.93
C6 C7 . 1.418(2)
C6 C8 . 1.451(2)
C7 O2 . 1.3193(16)
C8 N1 2 1.277(2)
C8 H8 . 0.93
C9 H9C . 0.96
C9 H9B . 0.96
C9 H9A . 0.96
N1 C8 2 1.277(2)
N1 O5 . 1.445(5)
N1 C12 . 1.461(7)
N1 Ni1 . 1.9984(13)
N2 O6 . 1.427(5)
N2 C10 . 1.483(7)
N2 Ni1 . 2.0263(13)
O5 C13 . 1.437(6)
O6 C14 . 1.426(6)
C13 C14 . 1.488(6)
C13 H13A . 0.97
C13 H13B . 0.97
C14 H14B . 0.97
C14 H14A . 0.97
C10 C11 . 1.515(7)
C10 H10B . 0.97
C10 H10A . 0.97
C11 C12 . 1.518(8)
C11 H11C . 0.97
C11 H11D . 0.97
C12 H12B . 0.97
C12 H12A . 0.97
O1 Ni1 . 2.1191(11)
O1 H1A . 0.858(9)
O1 H1B . 0.838(8)
O2 Ni1 . 2.0122(10)
O2 Ni1 2 2.0297(10)
O3 Ni1 . 2.1604(11)
O3 H3B . 0.831(9)
O3 H3A . 0.846(9)
O4 H4A . 0.839(10)
O4 H4B . 0.831(10)
O7 Cl1 . 1.386(2)
O8 Cl1 . 1.371(2)
O9 Cl1 . 1.362(3)
O10 Cl1 . 1.394(3)
O11 H11A . 0.846(10)
O11 H11B . 0.856(10)
Ni1 O2 2 2.0297(10)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1 H1A O3 2 0.858(9) 2.060(10) 2.8475(15) 152.0(10)
O1 H1B O11 1_655 0.838(8) 2.060(10) 2.8455(19) 155(2)
O3 H3B O4 . 0.831(9) 1.960(10) 2.766(2) 165(2)
O3 H3A O11 . 0.846(9) 1.950(10) 2.775(2) 164.0(10)
O11 H11A O8 2_554 0.846(10) 1.970(10) 2.806(3) 170(3)
O11 H11B O9 1_455 0.856(10) 2.40(2) 3.127(5) 143(3)
O11 H11B O10 1_455 0.856(10) 2.46(2) 3.229(4) 150(3)
O4 H4A O7 1_445 0.839(10) 2.43(3) 3.137(5) 142(4)
O4 H4B O7 2_554 0.831(10) 2.43(2) 3.120(4) 140(3)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N2 C1 C2 C3 . . 173.41(16)
N2 C1 C2 C7 . . -8.3(3)
C7 C2 C3 C4 . . -0.5(2)
C1 C2 C3 C4 . . 177.90(14)
C2 C3 C4 C5 . . -3.0(2)
C2 C3 C4 C9 . . 178.42(15)
C3 C4 C5 C6 . . 3.5(2)
C9 C4 C5 C6 . . -177.85(15)
C4 C5 C6 C7 . . -0.6(2)
C4 C5 C6 C8 . . -176.51(14)
C3 C2 C7 O2 . . -178.27(13)
C1 C2 C7 O2 . . 3.5(2)
C3 C2 C7 C6 . . 3.43(19)
C1 C2 C7 C6 . . -174.83(13)
C5 C6 C7 O2 . . 178.79(12)
C8 C6 C7 O2 . . -5.7(2)
C5 C6 C7 C2 . . -2.92(19)
C8 C6 C7 C2 . . 172.64(13)
C5 C6 C8 N1 . 2 -167.56(16)
C7 C6 C8 N1 . 2 16.7(2)
C2 C1 N2 O6 . . -173.9(4)
C2 C1 N2 C10 . . 176.1(5)
C2 C1 N2 Ni1 . . -9.3(2)
C8 N1 O5 C13 2 . 105.4(5)
C12 N1 O5 C13 . . 7(2)
Ni1 N1 O5 C13 . . -86.3(6)
C1 N2 O6 C14 . . -152.8(5)
C10 N2 O6 C14 . . -12(3)
Ni1 N2 O6 C14 . . 43.5(7)
N1 O5 C13 C14 . . 55.4(7)
N2 O6 C14 C13 . . -104.3(5)
O5 C13 C14 O6 . . 54.2(6)
C1 N2 C10 C11 . . 177.8(6)
O6 N2 C10 C11 . . 135(4)
Ni1 N2 C10 C11 . . 3.0(11)
N2 C10 C11 C12 . . -50.5(11)
C8 N1 C12 C11 2 . 125.4(5)
O5 N1 C12 C11 . . -145(3)
Ni1 N1 C12 C11 . . -49.5(8)
C10 C11 C12 N1 . . 76.3(8)
C2 C7 O2 Ni1 . . 18.74(17)
C6 C7 O2 Ni1 . . -163.04(9)
C2 C7 O2 Ni1 . 2 161.14(9)
C6 C7 O2 Ni1 . 2 -20.64(17)
C8 N1 Ni1 N2 2 . -165.19(14)
O5 N1 Ni1 N2 . . 27.8(3)
C12 N1 Ni1 N2 . . 9.1(4)
C8 N1 Ni1 O2 2 2 17.70(14)
O5 N1 Ni1 O2 . 2 -149.3(3)
C12 N1 Ni1 O2 . 2 -168.0(4)
C8 N1 Ni1 O1 2 . 104.47(14)
O5 N1 Ni1 O1 . . -62.5(3)
C12 N1 Ni1 O1 . . -81.2(4)
C8 N1 Ni1 O3 2 . -69.72(14)
O5 N1 Ni1 O3 . . 123.3(3)
C12 N1 Ni1 O3 . . 104.6(4)
C7 O2 Ni1 N2 . . -26.78(11)
Ni1 O2 Ni1 N2 2 . -176.96(5)
C7 O2 Ni1 O2 . 2 150.18(13)
Ni1 O2 Ni1 O2 2 2 0.0
C7 O2 Ni1 O1 . . 63.42(11)
Ni1 O2 Ni1 O1 2 . -86.76(4)
C7 O2 Ni1 O3 . . -122.01(11)
Ni1 O2 Ni1 O3 2 . 87.81(4)
C1 N2 Ni1 N1 . . -159.75(13)
O6 N2 Ni1 N1 . . 1.5(4)
C10 N2 Ni1 N1 . . 14.8(5)
C1 N2 Ni1 O2 . . 21.03(14)
O6 N2 Ni1 O2 . . -177.7(4)
C10 N2 Ni1 O2 . . -164.4(5)
C1 N2 Ni1 O1 . . -68.92(13)
O6 N2 Ni1 O1 . . 92.3(4)
C10 N2 Ni1 O1 . . 105.6(5)
C1 N2 Ni1 O3 . . 108.22(13)
O6 N2 Ni1 O3 . . -90.5(4)
C10 N2 Ni1 O3 . . -77.2(5)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139072902
