#------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/80/2018063.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_2018063
loop_
_publ_author_name
'Atria, Ana María'
'Corsini, Gino'
'Herrera, Natalia'
'Garland, Maria Teresa'
'Baggio, Ricardo'
_publ_section_title
;
 Two isomorphous transition metal complexes containing a protonated
 diaminopurine ligand:
 diaquabis(2,6-diamino-7H-purin-1-ium-κN⁹)bis(homophthalato-κO)nickel(II)
 tetrahydrate and the cobalt(II) analogue
;
_journal_coeditor_code           GD3385
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m169
_journal_page_last               m172
_journal_paper_doi               10.1107/S0108270111014521
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ni (C9 H6 O4)2 (C5 H7 N6)2 (H2 O)2] , 4H2 O'
_chemical_formula_moiety         'C28 H30 N12 Ni O10, 4(H2 O)'
_chemical_formula_sum            'C28 H38 N12 Ni O14'
_chemical_formula_weight         825.41
_chemical_name_common
;
diaquabis(2,6-diamino-7H-purin-1-ium-κN⁹)bis(homophthalato-
κO)nickel(II) tetrahydrate
;
_chemical_name_systematic
;
diaquabis(2,6-diamino-7H-purin-1-ium-κN⁹)bis[2-(2-
carboxylatophenyl)acetato-κO]nickel(II) 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           SHELXL97
_cell_angle_alpha                107.082(5)
_cell_angle_beta                 90.384(6)
_cell_angle_gamma                118.537(5)
_cell_formula_units_Z            1
_cell_length_a                   9.655(4)
_cell_length_b                   10.017(4)
_cell_length_c                   10.680(4)
_cell_measurement_reflns_used    6856
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.72
_cell_measurement_theta_min      2.44
_cell_volume                     854.0(6)
_computing_cell_refinement       'SAINT-NT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-NT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_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  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0302
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6856
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.72
_diffrn_reflns_theta_min         2.44
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.656
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.81
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS in SAINT-NT; Bruker, 2002)'
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             430
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.524
_refine_diff_density_min         -0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         3607
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0354
_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)+(0.0570P)²+0.1283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                3299
_reflns_number_total             3607
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gd3385.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               2018063
_cod_database_fobs_code          2018063
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_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni1 0.5000 0.5000 0.5000 0.02513(11) Uani d S 1 2 . .
C C11 0.2449(2) 0.3793(2) 0.67569(19) 0.0344(4) Uani d . 1 1 . .
H H11 0.1728 0.3877 0.6249 0.028(5) Uiso calc R 1 1 . .
C C21 0.3450(2) 0.3282(2) 0.82690(17) 0.0310(4) Uani d . 1 1 . .
C C31 0.3837(2) 0.2822(2) 0.92768(17) 0.0306(4) Uani d . 1 1 . .
C C41 0.6459(2) 0.3861(2) 0.87106(18) 0.0312(4) Uani d . 1 1 . .
C C51 0.4595(2) 0.3931(2) 0.75188(17) 0.0283(3) Uani d . 1 1 . .
N N11 0.39475(17) 0.42373(18) 0.65585(15) 0.0303(3) Uani d . 1 1 . .
N N21 0.20917(18) 0.3213(2) 0.77642(16) 0.0340(3) Uani d D 1 1 . .
H H21 0.1200(18) 0.288(3) 0.805(2) 0.055(7) Uiso d D 1 1 . .
N N31 0.53768(19) 0.31592(19) 0.94715(15) 0.0325(3) Uani d D 1 1 . .
H H31 0.570(3) 0.288(4) 1.006(2) 0.081(10) Uiso d D 1 1 . .
N N41 0.61132(18) 0.42354(18) 0.77049(15) 0.0321(3) Uani d . 1 1 . .
N N51 0.2832(2) 0.2116(2) 1.00229(17) 0.0398(4) Uani d D 1 1 . .
H H51A 0.315(3) 0.196(3) 1.0686(16) 0.048(7) Uiso d D 1 1 . .
H H51B 0.1865(14) 0.187(2) 0.983(2) 0.033(5) Uiso d D 1 1 . .
N N61 0.7956(2) 0.4196(2) 0.90521(19) 0.0448(4) Uani d D 1 1 . .
H H61A 0.862(2) 0.451(3) 0.8531(19) 0.048(7) Uiso d D 1 1 . .
H H61B 0.809(3) 0.383(3) 0.9642(18) 0.050(7) Uiso d D 1 1 . .
C C12 0.7358(2) 0.1435(2) 0.24692(17) 0.0313(4) Uani d . 1 1 . .
C C22 0.6051(2) 0.0536(2) 0.30261(17) 0.0291(4) Uani d . 1 1 . .
C C32 0.6319(2) -0.0143(2) 0.39061(19) 0.0341(4) Uani d . 1 1 . .
H H32 0.5471 -0.0752 0.4274 0.035(5) Uiso calc R 1 1 . .
C C42 0.7815(2) 0.0065(2) 0.4246(2) 0.0393(4) Uani d . 1 1 . .
H H42 0.7964 -0.0383 0.4847 0.049(6) Uiso calc R 1 1 . .
C C52 0.9081(2) 0.0937(2) 0.3691(2) 0.0409(4) Uani d . 1 1 . .
H H52 1.0087 0.1078 0.3914 0.057(7) Uiso calc R 1 1 . .
C C62 0.8844(2) 0.1601(2) 0.2801(2) 0.0389(4) Uani d . 1 1 . .
H H62 0.9694 0.2171 0.2415 0.046(6) Uiso calc R 1 1 . .
C C72 0.7232(2) 0.2223(2) 0.14985(18) 0.0353(4) Uani d . 1 1 . .
C C82 0.4371(2) 0.0195(2) 0.26766(18) 0.0313(4) Uani d . 1 1 . .
H H82A 0.3657 -0.0645 0.3014 0.045(6) Uiso calc R 1 1 . .
H H82B 0.4074 -0.0235 0.1715 0.028(5) Uiso calc R 1 1 . .
C C92 0.4073(2) 0.1612(2) 0.31881(17) 0.0285(4) Uani d . 1 1 . .
O O12 0.50069(14) 0.28125(14) 0.41715(12) 0.0303(3) Uani d . 1 1 . .
O O22 0.28188(15) 0.14332(16) 0.25923(14) 0.0389(3) Uani d . 1 1 . .
O O32 0.59350(18) 0.2183(2) 0.12656(16) 0.0538(4) Uani d . 1 1 . .
O O42 0.84166(18) 0.2891(2) 0.09734(16) 0.0530(4) Uani d . 1 1 . .
O O1W 0.27208(15) 0.40427(16) 0.39792(13) 0.0326(3) Uani d D 1 1 . .
H H1WA 0.255(3) 0.3132(15) 0.3463(17) 0.043(6) Uiso d D 1 1 . .
H H1WB 0.281(4) 0.457(2) 0.346(2) 0.081(10) Uiso d D 1 1 . .
O O2W -0.03256(17) 0.14963(19) 0.90211(16) 0.0476(4) Uani d D 1 1 . .
H H2WA -0.107(2) 0.062(2) 0.847(2) 0.080(10) Uiso d D 1 1 . .
H H2WB -0.078(3) 0.181(3) 0.963(2) 0.087(11) Uiso d D 1 1 . .
O O3WA 0.9138(4) 0.4070(5) 0.6171(7) 0.110(2) Uani d P 0.774(14) 1 . .
O O3WB 0.905(2) 0.437(2) 0.537(3) 0.141(7) Uiso d P 0.226(14) 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'
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
_geom_angle_publ_flag
O1W Ni1 O1W 2_666 . 180.0 ?
O1W Ni1 N11 2_666 . 91.67(6) ?
O1W Ni1 N11 . . 88.33(6) y
O1W Ni1 N11 2_666 2_666 88.33(6) ?
O1W Ni1 N11 . 2_666 91.67(6) ?
N11 Ni1 N11 . 2_666 180.0 ?
O1W Ni1 O12 2_666 . 87.21(5) ?
O1W Ni1 O12 . . 92.79(5) y
N11 Ni1 O12 . . 90.00(6) y
N11 Ni1 O12 2_666 . 90.00(5) ?
O1W Ni1 O12 2_666 2_666 92.79(5) ?
O1W Ni1 O12 . 2_666 87.21(5) ?
N11 Ni1 O12 . 2_666 90.00(5) ?
N11 Ni1 O12 2_666 2_666 90.00(6) ?
O12 Ni1 O12 . 2_666 180.0000(10) ?
N11 C11 N21 . . 113.00(16) ?
N11 C11 H11 . . 123.5 ?
N21 C11 H11 . . 123.5 ?
N21 C21 C51 . . 106.31(15) ?
N21 C21 C31 . . 134.66(17) ?
C51 C21 C31 . . 119.01(16) ?
N51 C31 N31 . . 119.93(16) ?
N51 C31 C21 . . 125.12(17) ?
N31 C31 C21 . . 114.95(15) ?
N41 C41 N61 . . 119.60(17) ?
N41 C41 N31 . . 124.39(16) ?
N61 C41 N31 . . 116.00(16) ?
N41 C51 N11 . . 125.07(16) ?
N41 C51 C21 . . 125.50(16) ?
N11 C51 C21 . . 109.43(15) ?
C11 N11 C51 . . 104.74(15) ?
C11 N11 Ni1 . . 127.37(12) ?
C51 N11 Ni1 . . 127.61(12) ?
C11 N21 C21 . . 106.52(15) ?
C11 N21 H21 . . 126.7(17) ?
C21 N21 H21 . . 126.7(17) ?
C31 N31 C41 . . 122.32(15) ?
C31 N31 H31 . . 120(2) ?
C41 N31 H31 . . 117(2) ?
C41 N41 C51 . . 113.69(15) ?
C31 N51 H51A . . 121.5(16) ?
C31 N51 H51B . . 116.8(14) ?
H51A N51 H51B . . 122(2) ?
C41 N61 H61A . . 117.6(16) ?
C41 N61 H61B . . 115.5(17) ?
H61A N61 H61B . . 125(2) ?
C62 C12 C22 . . 119.53(16) ?
C62 C12 C72 . . 117.20(16) ?
C22 C12 C72 . . 123.26(16) ?
C32 C22 C12 . . 117.78(16) ?
C32 C22 C82 . . 118.09(16) ?
C12 C22 C82 . . 124.05(16) ?
C42 C32 C22 . . 121.83(17) ?
C42 C32 H32 . . 119.1 ?
C22 C32 H32 . . 119.1 ?
C52 C42 C32 . . 119.96(17) ?
C52 C42 H42 . . 120.0 ?
C32 C42 H42 . . 120.0 ?
C42 C52 C62 . . 119.42(18) ?
C42 C52 H52 . . 120.3 ?
C62 C52 H52 . . 120.3 ?
C52 C62 C12 . . 121.46(18) ?
C52 C62 H62 . . 119.3 ?
C12 C62 H62 . . 119.3 ?
O42 C72 O32 . . 123.08(17) ?
O42 C72 C12 . . 119.09(17) ?
O32 C72 C12 . . 117.83(16) ?
C22 C82 C92 . . 117.04(14) ?
C22 C82 H82A . . 108.0 ?
C92 C82 H82A . . 108.0 ?
C22 C82 H82B . . 108.0 ?
C92 C82 H82B . . 108.0 ?
H82A C82 H82B . . 107.3 ?
O12 C92 O22 . . 124.80(16) ?
O12 C92 C82 . . 119.49(15) ?
O22 C92 C82 . . 115.64(15) ?
C92 O12 Ni1 . . 127.85(11) ?
Ni1 O1W H1WA . . 101.2(15) ?
Ni1 O1W H1WB . . 107(2) ?
H1WA O1W H1WB . . 104.2(14) ?
H2WA O2W H2WB . . 105.8(15) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 O1W 2_666 2.0707(14) ?
Ni1 O1W . 2.0707(14) y
Ni1 N11 . 2.1011(15) y
Ni1 N11 2_666 2.1011(15) ?
Ni1 O12 . 2.1116(14) y
Ni1 O12 2_666 2.1116(14) ?
C11 N11 . 1.334(2) ?
C11 N21 . 1.340(2) ?
C11 H11 . 0.9300 ?
C21 N21 . 1.377(2) ?
C21 C51 . 1.385(2) ?
C21 C31 . 1.401(3) ?
C31 N51 . 1.328(2) ?
C31 N31 . 1.357(2) ?
C41 N41 . 1.326(2) ?
C41 N61 . 1.339(2) ?
C41 N31 . 1.375(2) ?
C51 N41 . 1.347(2) ?
C51 N11 . 1.377(2) ?
N21 H21 . 0.855(10) ?
N31 H31 . 0.866(10) ?
N51 H51A . 0.853(10) ?
N51 H51B . 0.851(10) ?
N61 H61A . 0.858(10) ?
N61 H61B . 0.852(10) ?
C12 C62 . 1.393(3) ?
C12 C22 . 1.412(3) ?
C12 C72 . 1.511(2) ?
C22 C32 . 1.398(3) ?
C22 C82 . 1.508(2) ?
C32 C42 . 1.386(3) ?
C32 H32 . 0.9300 ?
C42 C52 . 1.379(3) ?
C42 H42 . 0.9300 ?
C52 C62 . 1.383(3) ?
C52 H52 . 0.9300 ?
C62 H62 . 0.9300 ?
C72 O42 . 1.252(2) ?
C72 O32 . 1.255(2) ?
C82 C92 . 1.527(2) ?
C82 H82A . 0.9700 ?
C82 H82B . 0.9700 ?
C92 O12 . 1.254(2) ?
C92 O22 . 1.272(2) ?
O1W H1WA . 0.851(9) ?
O1W H1WB . 0.850(10) ?
O2W H2WA . 0.849(10) ?
O2W H2WB . 0.852(10) ?
O3WA O3WB . 1.00(2) ?
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
O1W H1WA O22 . 0.85(3) 1.82(3) 2.645(2) 163(2)
O1W H1WB N41 2_666 0.85(3) 1.94(3) 2.733(2) 155(3)
N31 H31 O32 1_556 0.86(3) 1.69(3) 2.551(2) 168(3)
N51 H51A O22 1_556 0.85(3) 2.23(3) 3.015(2) 151(2)
N61 H61B O42 1_556 0.85(3) 2.01(3) 2.870(2) 177(2)
O2W H2WA O22 2_556 0.84(3) 1.91(3) 2.757(2) 173(3)
O2W H2WB O42 1_456 0.85(3) 1.93(3) 2.778(2) 170(3)
N21 H21 O2W . 0.86(3) 2.02(3) 2.787(2) 148(2)
N51 H51B O2W . 0.85(3) 2.09(3) 2.930(3) 167(2)
N61 H61A O3WA . 0.85(3) 2.52(3) 3.277(7) 147(2)
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N21 C21 C31 N51 . . . . 1.3(3) ?
C51 C21 C31 N51 . . . . -176.56(17) ?
N21 C21 C31 N31 . . . . -178.35(19) ?
C51 C21 C31 N31 . . . . 3.8(2) ?
N21 C21 C51 N41 . . . . 178.58(17) ?
C31 C21 C51 N41 . . . . -3.0(3) ?
N21 C21 C51 N11 . . . . -0.7(2) ?
C31 C21 C51 N11 . . . . 177.65(15) ?
N21 C11 N11 C51 . . . . -0.6(2) ?
N21 C11 N11 Ni1 . . . . 173.58(12) ?
N41 C51 N11 C11 . . . . -178.51(17) ?
C21 C51 N11 C11 . . . . 0.81(19) ?
N41 C51 N11 Ni1 . . . . 7.3(3) ?
C21 C51 N11 Ni1 . . . . -173.35(12) ?
O1W Ni1 N11 C11 2_666 . . . 163.96(16) ?
O1W Ni1 N11 C11 . . . . -16.04(16) ?
O12 Ni1 N11 C11 . . . . -108.83(16) ?
O12 Ni1 N11 C11 2_666 . . . 71.17(16) ?
O1W Ni1 N11 C51 2_666 . . . -23.14(15) ?
O1W Ni1 N11 C51 . . . . 156.86(15) ?
O12 Ni1 N11 C51 . . . . 64.06(15) ?
O12 Ni1 N11 C51 2_666 . . . -115.94(15) ?
N11 C11 N21 C21 . . . . 0.2(2) ?
C51 C21 N21 C11 . . . . 0.4(2) ?
C31 C21 N21 C11 . . . . -177.7(2) ?
N51 C31 N31 C41 . . . . 178.73(17) ?
C21 C31 N31 C41 . . . . -1.6(2) ?
N41 C41 N31 C31 . . . . -1.9(3) ?
N61 C41 N31 C31 . . . . 176.92(17) ?
N61 C41 N41 C51 . . . . -175.93(17) ?
N31 C41 N41 C51 . . . . 2.8(3) ?
N11 C51 N41 C41 . . . . 178.85(16) ?
C21 C51 N41 C41 . . . . -0.4(3) ?
C62 C12 C22 C32 . . . . 0.5(3) ?
C72 C12 C22 C32 . . . . 179.57(17) ?
C62 C12 C22 C82 . . . . -176.23(17) ?
C72 C12 C22 C82 . . . . 2.8(3) ?
C12 C22 C32 C42 . . . . 0.9(3) ?
C82 C22 C32 C42 . . . . 177.84(17) ?
C22 C32 C42 C52 . . . . -1.3(3) ?
C32 C42 C52 C62 . . . . 0.2(3) ?
C42 C52 C62 C12 . . . . 1.3(3) ?
C22 C12 C62 C52 . . . . -1.6(3) ?
C72 C12 C62 C52 . . . . 179.29(18) ?
C62 C12 C72 O42 . . . . 4.6(3) ?
C22 C12 C72 O42 . . . . -174.51(18) ?
C62 C12 C72 O32 . . . . -174.93(19) ?
C22 C12 C72 O32 . . . . 6.0(3) ?
C32 C22 C82 C92 . . . . 111.72(18) ?
C12 C22 C82 C92 . . . . -71.5(2) ?
C22 C82 C92 O12 . . . . -22.0(2) ?
C22 C82 C92 O22 . . . . 160.84(16) ?
O22 C92 O12 Ni1 . . . . -8.3(2) ?
C82 C92 O12 Ni1 . . . . 174.91(11) ?
O1W Ni1 O12 C92 2_666 . . . -165.25(14) ?
O1W Ni1 O12 C92 . . . . 14.75(14) ?
N11 Ni1 O12 C92 . . . . 103.08(14) ?
N11 Ni1 O12 C92 2_666 . . . -76.92(14) ?
