#------------------------------------------------------------------------------
#$Date: 2019-12-26 19:55:02 +0200 (Thu, 26 Dec 2019) $
#$Revision: 246019 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/16/2311605.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_2311605
loop_
_publ_author_name
'Talley, Allison'
'Kelley, Annette F.'
'Bond, Marcus R.'
_publ_section_title
;
 Poly[tetrakis(n-propylammonium)
 [octa-μ-chlorido-dichloridotrinickelate(II)]]: a hybrid
 organic-inorganic layer compound in the Cs4Mg3F10 structure type.
;
_journal_coeditor_code           FG3235
_journal_issue                   'Pt 12'
_journal_name_full
'Acta crystallographica. Section C, Crystal structure communications'
_journal_page_first              m395
_journal_page_last               9
_journal_paper_doi               10.1107/S0108270111050116
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C3 H10 N)4 [Ni3 Cl10]'
_chemical_formula_moiety         '4(C3 H10 N +), Cl10 Ni3 4-'
_chemical_formula_sum            'C12 H40 Cl10 N4 Ni3'
_chemical_formula_weight         771.09
_chemical_name_systematic
;
Poly[tetrakis(n-propylammonium)
[octa-μ-chlorido-dichloridotrinickelate(II)]]
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.97860(10)
_cell_length_b                   24.0608(5)
_cell_length_c                   17.4131(3)
_cell_measurement_reflns_used    4129
_cell_measurement_temperature    240(2)
_cell_measurement_theta_max      37.036
_cell_measurement_theta_min      0.998
_cell_volume                     2923.85(9)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      240(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.094
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3960
_diffrn_reflns_theta_full        37.04
_diffrn_reflns_theta_max         37.04
_diffrn_reflns_theta_min         3.26
_exptl_absorpt_coefficient_mu    2.836
_exptl_absorpt_correction_T_max  0.646
_exptl_absorpt_correction_T_min  0.540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(DENZO and SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.723
_refine_diff_density_min         -1.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     97
_refine_ls_number_reflns         3960
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0381
_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)+(0.0357P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0882
_reflns_number_gt                2216
_reflns_number_total             3960
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fg3235sup1.cif
_cod_data_source_block           I_240K
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_database_code               2311605
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x, -y, -z'
'-x+1/2, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x, y, z'
'x-1/2, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x, y+1/2, -z-1/2'
'-x+1/2, y+1/2, z'
'x, -y+1/2, z-1/2'
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 0.0000 0.436485(14) 0.151274(18) 0.01973(9) Uani d S 1 2 . .
Ni Ni2 0.0000 0.5000 0.0000 0.01977(11) Uani d S 1 4 . .
Cl Cl1 0.0000 0.34022(3) 0.16579(4) 0.02974(16) Uani d S 1 2 . .
Cl Cl2 0.2500 0.45049(3) 0.2500 0.02529(14) Uani d S 1 2 . .
Cl Cl3 0.0000 0.53563(3) 0.12793(3) 0.02425(14) Uani d S 1 2 . .
Cl Cl4 0.23513(7) 0.434117(19) 0.04622(2) 0.02446(11) Uani d . 1 1 . .
N N11 0.0000 0.34802(11) 0.34736(13) 0.0350(6) Uani d SP 0.768(8) 2 A 1
H H11A 0.0000 0.3557 0.2974 0.053 Uiso calc SPR 0.384(4) 2 A 1
H H11B 0.1041 0.3625 0.3690 0.053 Uiso calc PR 0.192(2) 1 A 1
H H11C -0.1041 0.3625 0.3690 0.053 Uiso calc PR 0.192(2) 1 A 1
H H11D 0.0000 0.3648 0.3929 0.053 Uiso calc SPR 0.384(4) 2 A 1
H H11E -0.1041 0.3580 0.3213 0.053 Uiso calc PR 0.192(2) 1 A 1
H H11F 0.1041 0.3580 0.3213 0.053 Uiso calc PR 0.192(2) 1 A 1
C C12 0.0000 0.28705(16) 0.3584(3) 0.0410(13) Uani d SP 0.768(8) 2 A 1
H H12A -0.1122 0.2716 0.3333 0.049 Uiso calc PR 0.384(4) 1 A 1
H H12B 0.1122 0.2716 0.3333 0.049 Uiso calc PR 0.384(4) 1 A 1
C C13 0.0000 0.2698(2) 0.4382(3) 0.0644(19) Uani d SP 0.768(8) 2 A 1
H H13A -0.1124 0.2848 0.4635 0.077 Uiso calc PR 0.384(4) 1 A 1
H H13B 0.1124 0.2848 0.4635 0.077 Uiso calc PR 0.384(4) 1 A 1
C C14 0.0000 0.20715(18) 0.4462(3) 0.0827(16) Uani d SP 0.768(8) 2 A 1
H H14A 0.0000 0.1974 0.4997 0.124 Uiso calc SPR 0.384(4) 2 A 1
H H14B 0.1123 0.1922 0.4221 0.124 Uiso calc PR 0.192(2) 1 A 1
H H14C -0.1123 0.1922 0.4221 0.124 Uiso calc PR 0.192(2) 1 A 1
H H14D 0.0000 0.1904 0.3962 0.124 Uiso calc SPR 0.384(4) 2 A 1
H H14E -0.1123 0.1957 0.4738 0.124 Uiso calc PR 0.192(2) 1 A 1
H H14F 0.1123 0.1957 0.4738 0.124 Uiso calc PR 0.192(2) 1 A 1
N N21 0.5000 0.53174(10) 0.12543(15) 0.0354(6) Uani d SP 0.872(9) 2 B 2
H H21A 0.5000 0.5028 0.1572 0.053 Uiso calc SPR 0.436(4) 2 B 2
H H21B 0.6041 0.5305 0.0960 0.053 Uiso calc PR 0.218(2) 1 B 2
H H21C 0.3959 0.5305 0.0960 0.053 Uiso calc PR 0.218(2) 1 B 2
H H21D 0.5000 0.5398 0.0755 0.053 Uiso calc SPR 0.436(4) 2 B 2
H H21E 0.3959 0.5120 0.1368 0.053 Uiso calc PR 0.218(2) 1 B 2
H H21F 0.6041 0.5120 0.1368 0.053 Uiso calc PR 0.218(2) 1 B 2
C C22 0.5000 0.58305(18) 0.1698(2) 0.0577(15) Uani d SP 0.872(9) 2 B 2
H H22A 0.3882 0.5826 0.2029 0.087 Uiso calc PR 0.436(4) 1 B 2
H H22B 0.6118 0.5826 0.2029 0.087 Uiso calc PR 0.436(4) 1 B 2
C C23 0.5000 0.6324(2) 0.1305(3) 0.098(2) Uani d SP 0.872(9) 2 B 2
H H23A 0.3880 0.6332 0.0976 0.147 Uiso calc PR 0.436(4) 1 B 2
H H23B 0.6120 0.6332 0.0976 0.147 Uiso calc PR 0.436(4) 1 B 2
C C24 0.5000 0.68499(18) 0.1795(3) 0.0893(17) Uani d SP 0.872(9) 2 B 2
H H24A 0.5000 0.7170 0.1466 0.134 Uiso calc SPR 0.436(4) 2 B 2
H H24B 0.6123 0.6855 0.2113 0.134 Uiso calc PR 0.218(2) 1 B 2
H H24C 0.3877 0.6855 0.2113 0.134 Uiso calc PR 0.218(2) 1 B 2
H H24D 0.5000 0.6750 0.2328 0.134 Uiso calc SPR 0.436(4) 2 B 2
H H24E 0.3877 0.7065 0.1682 0.134 Uiso calc PR 0.218(2) 1 B 2
H H24F 0.6123 0.7065 0.1682 0.134 Uiso calc PR 0.218(2) 1 B 2
N N11A 0.0000 0.34802(11) 0.34736(13) 0.0350(6) Uani d SPD 0.232(8) 2 A 3
H H11G 0.0000 0.3302 0.3026 0.053 Uiso calc SPR 0.116(4) 2 A 3
H H11H 0.1041 0.3692 0.3507 0.053 Uiso calc PR 0.058(2) 1 A 3
H H11I -0.1041 0.3692 0.3507 0.053 Uiso calc PR 0.058(2) 1 A 3
H H11J 0.0000 0.3823 0.3667 0.053 Uiso calc SPR 0.116(4) 2 A 3
H H11K -0.1041 0.3432 0.3186 0.053 Uiso calc PR 0.058(2) 1 A 3
H H11L 0.1041 0.3432 0.3186 0.053 Uiso calc PR 0.058(2) 1 A 3
C C12A 0.0000 0.3067(5) 0.4114(7) 0.062(5) Uiso d SPD 0.232(8) 2 A 3
H H12C 0.1124 0.3124 0.4432 0.075 Uiso calc PR 0.116(4) 1 A 3
H H12D -0.1124 0.3124 0.4432 0.075 Uiso calc PR 0.116(4) 1 A 3
C C13A 0.0000 0.2488(5) 0.3818(8) 0.062(5) Uiso d SPD 0.232(8) 2 A 3
H H13C 0.1124 0.2431 0.3500 0.075 Uiso calc PR 0.116(4) 1 A 3
H H13D -0.1124 0.2431 0.3500 0.075 Uiso calc PR 0.116(4) 1 A 3
C C14A 0.0000 0.20715(18) 0.4462(3) 0.0827(16) Uani d SPD 0.232(8) 2 A 3
H H14G 0.0000 0.2263 0.4946 0.124 Uiso calc SPR 0.116(4) 2 A 3
H H14H 0.1123 0.1843 0.4426 0.124 Uiso calc PR 0.058(2) 1 A 3
H H14I -0.1123 0.1843 0.4426 0.124 Uiso calc PR 0.058(2) 1 A 3
H H14J 0.0000 0.1702 0.4253 0.124 Uiso calc SPR 0.116(4) 2 A 3
H H14K -0.1123 0.2123 0.4772 0.124 Uiso calc PR 0.058(2) 1 A 3
H H14L 0.1123 0.2123 0.4772 0.124 Uiso calc PR 0.058(2) 1 A 3
N N21A 0.5000 0.53174(10) 0.12543(15) 0.0354(6) Uani d SPD 0.128(9) 2 B 4
H H21G 0.5000 0.5224 0.1749 0.053 Uiso calc SPR 0.064(4) 2 B 4
H H21H 0.6041 0.5180 0.1028 0.053 Uiso calc PR 0.032(2) 1 B 4
H H21I 0.3959 0.5180 0.1028 0.053 Uiso calc PR 0.032(2) 1 B 4
H H21J 0.5000 0.5165 0.0788 0.053 Uiso calc SPR 0.064(4) 2 B 4
H H21K 0.3959 0.5209 0.1509 0.053 Uiso calc PR 0.032(2) 1 B 4
H H21L 0.6041 0.5209 0.1509 0.053 Uiso calc PR 0.032(2) 1 B 4
C C22A 0.5000 0.5938(4) 0.1182(16) 0.066(9) Uiso d SPD 0.128(9) 2 B 4
H H22C 0.6122 0.6050 0.0892 0.079 Uiso calc PR 0.064(4) 1 B 4
H H22D 0.3878 0.6050 0.0892 0.079 Uiso calc PR 0.064(4) 1 B 4
C C23A 0.5000 0.6239(5) 0.1930(15) 0.066(9) Uiso d SPD 0.128(9) 2 B 4
H H23C 0.6126 0.6135 0.2224 0.079 Uiso calc PR 0.064(4) 1 B 4
H H23D 0.3874 0.6135 0.2224 0.079 Uiso calc PR 0.064(4) 1 B 4
C C24A 0.5000 0.68499(18) 0.1795(3) 0.0893(17) Uani d SPD 0.128(9) 2 B 4
H H24G 0.5000 0.6922 0.1252 0.134 Uiso calc SPR 0.064(4) 2 B 4
H H24H 0.6123 0.7011 0.2022 0.134 Uiso calc PR 0.032(2) 1 B 4
H H24I 0.3877 0.7011 0.2022 0.134 Uiso calc PR 0.032(2) 1 B 4
H H24J 0.5000 0.7041 0.2279 0.134 Uiso calc SPR 0.064(4) 2 B 4
H H24K 0.3877 0.6951 0.1509 0.134 Uiso calc PR 0.032(2) 1 B 4
H H24L 0.6123 0.6951 0.1509 0.134 Uiso calc PR 0.032(2) 1 B 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.148 0.159 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.006 0.003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.339 1.112 '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_3
_geom_angle
_geom_angle_publ_flag
Cl1 Ni1 Cl2 . 93.44(2) y
Cl1 Ni1 Cl3 . 176.56(3) y
Cl1 Ni1 Cl4 . 93.308(18) y
Cl2 Ni1 Cl2 11 89.765(11) y
Cl2 Ni1 Cl3 . 89.00(2) y
Cl2 Ni1 Cl4 . 92.840(11) y
Cl2 Ni1 Cl4 11 172.61(2) y
Cl3 Ni1 Cl4 . 84.136(17) y
Cl4 Ni1 Cl4 11 83.76(2) y
Cl3 Ni2 Cl4 . 85.691(16) y
Cl4 Ni2 Cl4 3_565 94.59(2) y
Ni1 Cl2 Ni1 10_656 164.34(4) y
Ni1 Cl3 Ni2 . 78.62(2) y
Ni1 Cl4 Ni2 . 77.270(15) y
C12 N11 H11A . 109.5 ?
C12 N11 H11B . 109.5 ?
H11A N11 H11B . 109.5 ?
C12 N11 H11C . 109.5 ?
H11A N11 H11C . 109.5 ?
H11B N11 H11C . 109.5 ?
C12 N11 H11D . 109.5 ?
C12 N11 H11E . 109.5 ?
H11D N11 H11E . 109.5 ?
C12 N11 H11F . 109.5 ?
H11D N11 H11F . 109.5 ?
H11E N11 H11F . 109.5 ?
N11 C12 C13 . 114.1(4) ?
C13 C12 H12A . 108.7 ?
N11 C12 H12A . 108.7 ?
C13 C12 H12B . 108.7 ?
N11 C12 H12B . 108.7 ?
H12A C12 H12B . 107.6 ?
C12 C13 C14 . 111.9(4) ?
C12 C13 H13A . 109.2 ?
C14 C13 H13A . 109.2 ?
C12 C13 H13B . 109.2 ?
C14 C13 H13B . 109.2 ?
H13A C13 H13B . 107.9 ?
C13 C14 H14A . 109.5 ?
C13 C14 H14B . 109.5 ?
H14A C14 H14B . 109.5 ?
C13 C14 H14C . 109.5 ?
H14A C14 H14C . 109.5 ?
H14B C14 H14C . 109.5 ?
C13 C14 H14D . 109.5 ?
C13 C14 H14E . 109.5 ?
H14D C14 H14E . 109.5 ?
C13 C14 H14F . 109.5 ?
H14D C14 H14F . 109.5 ?
H14E C14 H14F . 109.5 ?
C22 N21 H21A . 109.5 ?
C22 N21 H21B . 109.5 ?
H21A N21 H21B . 109.5 ?
C22 N21 H21C . 109.5 ?
H21A N21 H21C . 109.5 ?
H21B N21 H21C . 109.5 ?
C22 N21 H21D . 109.5 ?
C22 N21 H21E . 109.5 ?
H21D N21 H21E . 109.5 ?
C22 N21 H21F . 109.5 ?
H21D N21 H21F . 109.5 ?
H21E N21 H21F . 109.5 ?
N21 C22 C23 . 118.0(4) ?
C23 C22 H22A . 107.8 ?
N21 C22 H22A . 107.8 ?
C23 C22 H22B . 107.8 ?
N21 C22 H22B . 107.8 ?
H22A C22 H22B . 107.1 ?
C22 C23 C24 . 116.1(5) ?
C22 C23 H23A . 108.3 ?
C24 C23 H23A . 108.3 ?
C22 C23 H23B . 108.3 ?
C24 C23 H23B . 108.3 ?
H23A C23 H23B . 107.4 ?
C23 C24 H24A . 109.5 ?
C23 C24 H24B . 109.5 ?
H24A C24 H24B . 109.5 ?
C23 C24 H24C . 109.5 ?
H24A C24 H24C . 109.5 ?
H24B C24 H24C . 109.5 ?
C23 C24 H24D . 109.5 ?
C23 C24 H24E . 109.5 ?
H24D C24 H24E . 109.5 ?
C23 C24 H24F . 109.5 ?
H24D C24 H24F . 109.5 ?
H24E C24 H24F . 109.5 ?
H11G N11A H11H . 109.5 ?
H11G N11A H11I . 109.5 ?
C12A N11A H11G . 109.5 ?
H11H N11A H11I . 109.5 ?
H11J N11A H11K . 109.5 ?
H11J N11A H11L . 109.5 ?
C12A N11A H11H . 109.5 ?
C12A N11A H11I . 109.5 ?
C12A N11A H11J . 109.5 ?
C12A N11A H11K . 109.5 ?
H11K N11A H11L . 109.5 ?
C12A N11A H11L . 109.5 ?
N11A C12A C13A . 111.4(9) ?
N11A C12A H12C . 109.3 ?
N11A C12A H12D . 109.3 ?
C13A C12A H12C . 109.3 ?
C13A C12A H12D . 109.3 ?
H12C C12A H12D . 108.0 ?
C12A C13A H13C . 109.3 ?
C12A C13A H13D . 109.3 ?
H13C C13A H13D . 108.0 ?
C12A C13A H13C . 109.3 ?
C12A C13A H13D . 109.3 ?
C12A C13A C14A . 111.5(9) ?
C13A C14A H14G . 109.5 ?
C13A C14A H14H . 109.5 ?
C13A C14A H14I . 109.5 ?
C13A C14A H14J . 109.5 ?
C13A C14A H14K . 109.5 ?
C13A C14A H14L . 109.5 ?
H14G C14A H14H . 109.5 ?
H14G C14A H14I . 109.5 ?
H14H C14A H14I . 109.5 ?
H14J C14A H14K . 109.5 ?
H14J C14A H14L . 109.5 ?
H14K C14A H14L . 109.5 ?
H21G N21A H21H . 109.5 ?
H21G N21A H21I . 109.5 ?
C22A N21A H21G . 109.5 ?
H21H N21A H21I . 109.5 ?
H21J N21A H21K . 109.5 ?
H21J N21A H21L . 109.5 ?
C22A N21A H21J . 109.5 ?
H21K N21A H21L . 109.5 ?
C22A N21A H21K . 109.5 ?
C22A N21A H21L . 109.5 ?
N21A C22A H22C . 108.7 ?
N21A C22A H22D . 108.7 ?
N21A C22A C23A . 114.3(9) ?
C23A C22A H22C . 108.7 ?
C23A C22A H22D . 108.7 ?
H22C C22A H22D . 107.6 ?
C22A C23A H23C . 109.7 ?
C22A C23A H23D . 109.7 ?
H23C C23A H23D . 108.2 ?
C23A C24A H24G . 109.5 ?
C23A C24A H24H . 109.5 ?
C23A C24A H24I . 109.5 ?
C23A C24A H24J . 109.5 ?
C23A C24A H24K . 109.5 ?
C23A C24A H24L . 109.5 ?
H24G C24A H24H . 109.5 ?
H24G C24A H24I . 109.5 ?
H24H C24A H24I . 109.5 ?
H24J C24A H24K . 109.5 ?
H24J C24A H24L . 109.5 ?
H24K C24A H24L . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 Cl1 2.3299(8) y
Ni1 Cl2 2.4724(2) y
Ni1 Cl3 2.4200(7) y
Ni1 Cl4 2.4580(5) y
Ni2 Cl3 2.3869(6) y
Ni2 Cl4 2.4193(4) y
N11 C12 1.480(5) ?
N11 H11A 0.8900 ?
N11 H11B 0.8900 ?
N11 H11C 0.8900 ?
N11 H11D 0.8900 ?
N11 H11E 0.8900 ?
N11 H11F 0.8900 ?
C12 C13 1.450(6) ?
C12 H12A 0.9700 ?
C12 H12B 0.9700 ?
C13 C14 1.514(6) ?
C13 H13A 0.9700 ?
C13 H13B 0.9700 ?
C14 H14A 0.9600 ?
C14 H14B 0.9600 ?
C14 H14C 0.9600 ?
C14 H14D 0.9600 ?
C14 H14E 0.9600 ?
C14 H14F 0.9600 ?
N21 C22 1.456(5) ?
N21 H21A 0.8900 ?
N21 H21B 0.8900 ?
N21 H21C 0.8900 ?
N21 H21D 0.8900 ?
N21 H21E 0.8900 ?
N21 H21F 0.8900 ?
C22 C23 1.370(7) ?
C22 H22A 0.9700 ?
C22 H22B 0.9700 ?
C23 C24 1.525(6) ?
C23 H23A 0.9700 ?
C23 H23B 0.9700 ?
C24 H24A 0.9600 ?
C24 H24B 0.9600 ?
C24 H24C 0.9600 ?
C24 H24D 0.9600 ?
C24 H24E 0.9600 ?
C24 H24F 0.9600 ?
N11A C12A 1.494(13) ?
N11A H11G 0.8900 ?
N11A H11H 0.8900 ?
N11A H11I 0.8900 ?
N11A H11J 0.8900 ?
N11A H11K 0.8900 ?
N11A H11L 0.8900 ?
C12A C13A 1.485(10) ?
C12A H12C 0.9700 ?
C12A H12D 0.9700 ?
C13A H13C 0.9700 ?
C13A H13D 0.9700 ?
C13A C14A 1.504(14) ?
C14A H14G 0.9600 ?
C14A H14H 0.9600 ?
C14A H14I 0.9600 ?
C14A H14J 0.9600 ?
C14A H14K 0.9600 ?
C14A H14L 0.9600 ?
N21A C22A 1.498(11) ?
N21A H21G 0.8900 ?
N21A H21H 0.8900 ?
N21A H21I 0.8900 ?
N21A H21J 0.8900 ?
N21A H21K 0.8900 ?
N21A H21L 0.8900 ?
C22A C23A 1.490(10) ?
C22A H22C 0.9700 ?
C22A H22D 0.9700 ?
C23A H23C 0.9700 ?
C23A H23D 0.9700 ?
C23A C24A 1.490(13) ?
C24A H24G 0.9600 ?
C24A H24H 0.9600 ?
C24A H24I 0.9600 ?
C24A H24J 0.9600 ?
C24A H24K 0.9600 ?
C24A H24L 0.9600 ?
