#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:31:49 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179635 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/99/4509938.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_4509938
loop_
_publ_author_name
'Hundal, Geeta'
'Hundal, Maninder Singh'
'Hwang, Young Kyu'
'Chang, Jong San'
_publ_section_title
;
 Supramolecular Interactions between Finite Tapes of Water Molecules and
 Hydrated Metal Ions To Produce Infinite Two-Dimensional Cationic Layers
 of Water Molecules
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              172
_journal_paper_doi               10.1021/cg401358p
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C14 H10 N2 Ni O10, H12 Ni O6, 4(H2 O)'
_chemical_formula_sum            'C14 H30 N2 Ni2 O20'
_chemical_formula_weight         663.77
_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                109.4850(10)
_cell_angle_beta                 96.911(2)
_cell_angle_gamma                99.708(2)
_cell_formula_units_Z            2
_cell_length_a                   7.1646(4)
_cell_length_b                   11.6664(6)
_cell_length_c                   16.2037(8)
_cell_measurement_reflns_used    9879
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.49
_cell_measurement_theta_min      2.69
_cell_volume                     1235.61(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0225
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20752
_diffrn_reflns_theta_full        28.49
_diffrn_reflns_theta_max         28.49
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    1.620
_exptl_absorpt_correction_T_max  0.74570
_exptl_absorpt_correction_T_min  0.5975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.106
_refine_diff_density_min         -1.280
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         6107
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0582
_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)+(0.0826P)²+15.8854P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1907
_refine_ls_wR_factor_ref         0.1937
_reflns_number_gt                5498
_reflns_number_total             6107
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401358p_si_008.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'TRICLINIC' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        1235.60(11)
_cod_database_code               4509938
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
C1 C 0.2668(6) 0.5708(4) 0.9451(3) 0.0093(8) Uani 1 1 d .
H1 H 0.2734 0.6527 0.9449 0.011 Uiso 1 1 calc R
C2 C 0.2572(6) 0.5506(4) 1.0247(3) 0.0091(8) Uani 1 1 d .
C3 C 0.2490(6) 0.4302(4) 1.0247(3) 0.0112(8) Uani 1 1 d .
H3 H 0.2434 0.4137 1.0781 0.013 Uiso 1 1 calc R
C4 C 0.2494(7) 0.3343(4) 0.9452(3) 0.0112(8) Uani 1 1 d .
H4 H 0.2434 0.2516 0.9435 0.013 Uiso 1 1 calc R
C5 C 0.2584(6) 0.3619(4) 0.8693(3) 0.0098(8) Uani 1 1 d .
C6 C 0.2535(6) 0.2649(4) 0.7787(3) 0.0097(8) Uani 1 1 d .
C7 C 0.2578(6) 0.6595(4) 1.1088(3) 0.0092(8) Uani 1 1 d .
C8 C 0.2861(6) 0.6252(4) 0.6260(3) 0.0086(8) Uani 1 1 d .
C9 C 0.2868(7) 0.6590(4) 0.5522(3) 0.0124(8) Uani 1 1 d .
H9 H 0.3077 0.7443 0.5584 0.015 Uiso 1 1 calc R
C10 C 0.2563(7) 0.5658(4) 0.4685(3) 0.0109(8) Uani 1 1 d .
H10 H 0.2597 0.5872 0.4170 0.013 Uiso 1 1 calc R
C11 C 0.2209(6) 0.4410(4) 0.4604(3) 0.0088(8) Uani 1 1 d .
C12 C 0.2243(6) 0.4150(4) 0.5387(3) 0.0093(8) Uani 1 1 d .
H12 H 0.2022 0.3304 0.5343 0.011 Uiso 1 1 calc R
C13 C 0.3143(6) 0.7201(4) 0.7193(3) 0.0098(8) Uani 1 1 d .
C14 C 0.1711(6) 0.3354(4) 0.3713(3) 0.0088(8) Uani 1 1 d .
N1 N 0.2671(5) 0.4787(3) 0.8688(2) 0.0086(7) Uani 1 1 d .
N2 N 0.2575(5) 0.5045(3) 0.6198(2) 0.0087(7) Uani 1 1 d .
O1 O 0.2475(5) 0.3020(3) 0.7134(2) 0.0103(6) Uani 1 1 d .
O2 O 0.2525(5) 0.1563(3) 0.7744(2) 0.0135(6) Uani 1 1 d .
O3 O 0.2485(6) 0.7615(3) 1.0999(2) 0.0186(7) Uani 1 1 d .
O4 O 0.2684(5) 0.6410(3) 1.1811(2) 0.0120(6) Uani 1 1 d .
O5 O 0.2975(5) 0.6778(3) 0.7813(2) 0.0106(6) Uani 1 1 d .
O6 O 0.3535(5) 0.8327(3) 0.7292(2) 0.0149(7) Uani 1 1 d .
O7 O 0.1156(6) 0.2274(3) 0.3693(2) 0.0168(7) Uani 1 1 d .
O8 O 0.1843(5) 0.3633(3) 0.3020(2) 0.0115(6) Uani 1 1 d .
O1W O 0.5591(5) 0.5218(3) 0.7677(2) 0.0123(6) Uani 1 1 d D
H11W H 0.608(8) 0.465(4) 0.771(4) 0.015 Uiso 1 1 d D
H12W H 0.611(8) 0.550(6) 0.734(4) 0.015 Uiso 1 1 d D
O2W O -0.0294(5) 0.4556(3) 0.7244(2) 0.0129(6) Uani 1 1 d D
H22W H -0.075(8) 0.417(4) 0.754(4) 0.015 Uiso 1 1 d D
H21W H -0.065(9) 0.520(3) 0.737(4) 0.015 Uiso 1 1 d D
O3W O 0.2649(5) 0.1096(3) 0.5073(2) 0.0135(6) Uani 1 1 d D
H31W H 0.349(7) 0.136(6) 0.553(3) 0.016 Uiso 1 1 d D
H32W H 0.309(9) 0.100(6) 0.462(3) 0.016 Uiso 1 1 d D
O4W O -0.0640(5) 0.1634(3) 0.5758(2) 0.0127(6) Uani 1 1 d D
H41W H 0.020(7) 0.202(5) 0.621(3) 0.015 Uiso 1 1 d D
H42W H -0.168(5) 0.166(6) 0.592(4) 0.015 Uiso 1 1 d D
O5W O 0.1187(5) -0.0340(3) 0.6083(2) 0.0139(6) Uani 1 1 d D
H51W H 0.072(9) -0.087(5) 0.627(4) 0.017 Uiso 1 1 d D
H52W H 0.154(9) 0.025(4) 0.656(2) 0.017 Uiso 1 1 d D
O6W O 0.4021(5) 0.0215(3) 0.8836(2) 0.0150(7) Uani 1 1 d D
H61W H 0.372(9) -0.037(4) 0.836(2) 0.018 Uiso 1 1 d D
H62W H 0.442(9) 0.089(3) 0.879(5) 0.018 Uiso 1 1 d D
O7W O 0.7712(5) 0.0996(3) 1.0097(2) 0.0151(7) Uani 1 1 d D
H72W H 0.788(10) 0.153(5) 0.987(4) 0.018 Uiso 1 1 d D
H71W H 0.870(6) 0.120(6) 1.047(3) 0.018 Uiso 1 1 d D
O8W O 0.4261(5) 0.1651(3) 1.0685(2) 0.0120(6) Uani 1 1 d D
H81W H 0.509(7) 0.217(5) 1.109(3) 0.014 Uiso 1 1 d D
H82W H 0.328(6) 0.165(6) 1.090(4) 0.014 Uiso 1 1 d D
O9W O 0.5942(5) 0.1673(3) 0.6382(2) 0.0163(7) Uani 1 1 d D
H91W H 0.582(10) 0.101(4) 0.646(5) 0.020 Uiso 1 1 d D
H92W H 0.601(10) 0.224(4) 0.685(3) 0.020 Uiso 1 1 d D
O10W O -0.0990(5) 0.0435(3) 0.8040(2) 0.0166(7) Uani 1 1 d D
H102 H 0.006(5) 0.081(6) 0.801(5) 0.020 Uiso 1 1 d D
H101 H -0.149(9) 0.100(4) 0.828(4) 0.020 Uiso 1 1 d D
O11W O 0.9066(5) -0.1561(3) 0.8595(2) 0.0135(6) Uani 1 1 d D
H111 H 0.897(9) -0.215(4) 0.813(3) 0.016 Uiso 1 1 d D
H112 H 0.917(9) -0.091(4) 0.851(4) 0.016 Uiso 1 1 d D
O12W O 0.6091(5) 0.9474(3) 0.6532(2) 0.0157(7) Uani 1 1 d D
H121 H 0.522(7) 0.912(6) 0.670(4) 0.019 Uiso 1 1 d D
H122 H 0.710(6) 0.952(6) 0.684(4) 0.019 Uiso 1 1 d D
Ni1 Ni 0.26641(8) 0.48938(5) 0.74423(4) 0.00718(16) Uani 1 1 d .
Ni2 Ni 0.0000 0.0000 0.5000 0.01160(19) Uani 1 2 d S
Ni3 Ni 0.5000 0.0000 1.0000 0.0119(2) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3390 1.1120 '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
N1 C1 C2 122.3(4) . .
N1 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C1 C2 C3 118.6(4) . .
C1 C2 C7 119.5(4) . .
C3 C2 C7 122.0(4) . .
C2 C3 C4 119.1(4) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 118.8(4) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
N1 C5 C4 122.5(4) . .
N1 C5 C6 114.1(4) . .
C4 C5 C6 123.4(4) . .
O2 C6 O1 125.7(4) . .
O2 C6 C5 117.8(4) . .
O1 C6 C5 116.5(4) . .
O3 C7 O4 125.3(4) . .
O3 C7 C2 116.8(4) . .
O4 C7 C2 117.9(4) . .
N2 C8 C9 122.3(4) . .
N2 C8 C13 115.3(4) . .
C9 C8 C13 122.3(4) . .
C8 C9 C10 118.8(4) . .
C8 C9 H9 120.6 . .
C10 C9 H9 120.6 . .
C9 C10 C11 119.8(4) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C10 C11 C12 117.7(4) . .
C10 C11 C14 122.5(4) . .
C12 C11 C14 119.8(4) . .
N2 C12 C11 122.8(4) . .
N2 C12 H12 118.6 . .
C11 C12 H12 118.6 . .
O6 C13 O5 125.3(4) . .
O6 C13 C8 117.8(4) . .
O5 C13 C8 116.8(4) . .
O7 C14 O8 124.0(4) . .
O7 C14 C11 118.5(4) . .
O8 C14 C11 117.5(4) . .
C1 N1 C5 118.8(4) . .
C1 N1 Ni1 127.6(3) . .
C5 N1 Ni1 113.5(3) . .
C12 N2 C8 118.6(4) . .
C12 N2 Ni1 129.8(3) . .
C8 N2 Ni1 111.6(3) . .
C6 O1 Ni1 115.9(3) . .
C13 O5 Ni1 115.2(3) . .
Ni1 O1W H11W 117(5) . .
Ni1 O1W H12W 115(5) . .
H11W O1W H12W 107(6) . .
Ni1 O2W H22W 113(4) . .
Ni1 O2W H21W 110(4) . .
H22W O2W H21W 108(3) . .
Ni2 O3W H31W 121(5) . .
Ni2 O3W H32W 119(5) . .
H31W O3W H32W 113(7) . .
Ni2 O4W H41W 112(5) . .
Ni2 O4W H42W 122(5) . .
H41W O4W H42W 106(6) . .
Ni2 O5W H51W 127(5) . .
Ni2 O5W H52W 118(5) . .
H51W O5W H52W 99(6) . .
Ni3 O6W H61W 122(5) . .
Ni3 O6W H62W 117(5) . .
H61W O6W H62W 114(7) . .
Ni3 O7W H72W 121(5) . .
Ni3 O7W H71W 132(5) . .
H72W O7W H71W 102(7) . .
Ni3 O8W H81W 116(5) . .
Ni3 O8W H82W 121(5) . .
H81W O8W H82W 104(6) . .
H91W O9W H92W 110(7) . .
H102 O10W H101 102(7) . .
H111 O11W H112 112(7) . .
H121 O12W H122 107(7) . .
O1W Ni1 O5 86.98(13) . .
O1W Ni1 O1 90.64(13) . .
O5 Ni1 O1 176.62(13) . .
O1W Ni1 O2W 178.12(13) . .
O5 Ni1 O2W 93.49(14) . .
O1 Ni1 O2W 88.81(13) . .
O1W Ni1 N1 89.66(14) . .
O5 Ni1 N1 97.75(14) . .
O1 Ni1 N1 79.83(14) . .
O2W Ni1 N1 88.48(14) . .
O1W Ni1 N2 92.00(14) . .
O5 Ni1 N2 80.74(14) . .
O1 Ni1 N2 101.76(14) . .
O2W Ni1 N2 89.87(14) . .
N1 Ni1 N2 177.69(15) . .
O5W Ni2 O5W 180.0 . 2_556
O5W Ni2 O4W 86.20(14) . 2_556
O5W Ni2 O4W 93.80(14) 2_556 2_556
O5W Ni2 O4W 93.80(14) . .
O5W Ni2 O4W 86.20(14) 2_556 .
O4W Ni2 O4W 180.0(2) 2_556 .
O5W Ni2 O3W 88.47(14) . .
O5W Ni2 O3W 91.53(14) 2_556 .
O4W Ni2 O3W 94.43(14) 2_556 .
O4W Ni2 O3W 85.57(14) . .
O5W Ni2 O3W 91.53(14) . 2_556
O5W Ni2 O3W 88.47(14) 2_556 2_556
O4W Ni2 O3W 85.57(14) 2_556 2_556
O4W Ni2 O3W 94.43(14) . 2_556
O3W Ni2 O3W 180.0 . 2_556
O6W Ni3 O6W 179.999(2) . 2_657
O6W Ni3 O7W 88.08(15) . 2_657
O6W Ni3 O7W 91.92(15) 2_657 2_657
O6W Ni3 O7W 91.92(15) . .
O6W Ni3 O7W 88.08(15) 2_657 .
O7W Ni3 O7W 179.999(1) 2_657 .
O6W Ni3 O8W 91.43(13) . 2_657
O6W Ni3 O8W 88.57(13) 2_657 2_657
O7W Ni3 O8W 88.97(14) 2_657 2_657
O7W Ni3 O8W 91.03(14) . 2_657
O6W Ni3 O8W 88.57(13) . .
O6W Ni3 O8W 91.43(13) 2_657 .
O7W Ni3 O8W 91.03(14) 2_657 .
O7W Ni3 O8W 88.97(14) . .
O8W Ni3 O8W 179.999(2) 2_657 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.341(6) .
C1 C2 1.394(6) .
C1 H1 0.9500 .
C2 C3 1.396(6) .
C2 C7 1.521(6) .
C3 C4 1.398(6) .
C3 H3 0.9500 .
C4 C5 1.378(6) .
C4 H4 0.9500 .
C5 N1 1.356(6) .
C5 C6 1.517(6) .
C6 O2 1.244(5) .
C6 O1 1.270(5) .
C7 O3 1.256(5) .
C7 O4 1.257(5) .
C8 N2 1.356(5) .
C8 C9 1.378(6) .
C8 C13 1.512(6) .
C9 C10 1.390(6) .
C9 H9 0.9500 .
C10 C11 1.394(6) .
C10 H10 0.9500 .
C11 C12 1.398(6) .
C11 C14 1.507(6) .
C12 N2 1.341(6) .
C12 H12 0.9500 .
C13 O6 1.247(5) .
C13 O5 1.268(5) .
C14 O7 1.243(5) .
C14 O8 1.279(5) .
N1 Ni1 2.063(4) .
N2 Ni1 2.076(4) .
O1 Ni1 2.050(3) .
O5 Ni1 2.041(3) .
O1W Ni1 2.032(3) .
O1W H11W 0.81(5) .
O1W H12W 0.82(7) .
O2W Ni1 2.054(3) .
O2W H22W 0.82(5) .
O2W H21W 0.80(5) .
O3W Ni2 2.068(3) .
O3W H31W 0.83(5) .
O3W H32W 0.82(5) .
O4W Ni2 2.055(3) .
O4W H41W 0.83(5) .
O4W H42W 0.82(2) .
O5W Ni2 2.045(3) .
O5W H51W 0.82(6) .
O5W H52W 0.82(2) .
O6W Ni3 2.042(3) .
O6W H61W 0.82(2) .
O6W H62W 0.82(5) .
O7W Ni3 2.048(3) .
O7W H72W 0.82(6) .
O7W H71W 0.82(5) .
O8W Ni3 2.069(3) .
O8W H81W 0.82(5) .
O8W H82W 0.82(5) .
O9W H91W 0.82(6) .
O9W H92W 0.81(5) .
O10W H102 0.82(5) .
O10W H101 0.81(6) .
O11W H111 0.82(5) .
O11W H112 0.81(5) .
O12W H121 0.81(6) .
O12W H122 0.81(5) .
Ni2 O5W 2.045(3) 2_556
Ni2 O4W 2.055(3) 2_556
Ni2 O3W 2.068(3) 2_556
Ni3 O6W 2.042(3) 2_657
Ni3 O7W 2.048(3) 2_657
Ni3 O8W 2.069(3) 2_657
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
N1 C1 C2 C3 0.5(7)
N1 C1 C2 C7 179.9(4)
C1 C2 C3 C4 -0.5(7)
C7 C2 C3 C4 -179.8(4)
C2 C3 C4 C5 0.2(7)
C3 C4 C5 N1 0.0(7)
C3 C4 C5 C6 -178.1(4)
N1 C5 C6 O2 177.5(4)
C4 C5 C6 O2 -4.3(7)
N1 C5 C6 O1 -3.7(6)
C4 C5 C6 O1 174.5(4)
C1 C2 C7 O3 6.6(6)
C3 C2 C7 O3 -174.0(4)
C1 C2 C7 O4 -173.1(4)
C3 C2 C7 O4 6.3(6)
N2 C8 C9 C10 0.3(7)
C13 C8 C9 C10 -178.8(4)
C8 C9 C10 C11 1.7(7)
C9 C10 C11 C12 -2.2(7)
C9 C10 C11 C14 175.0(4)
C10 C11 C12 N2 0.9(7)
C14 C11 C12 N2 -176.4(4)
N2 C8 C13 O6 175.4(4)
C9 C8 C13 O6 -5.4(7)
N2 C8 C13 O5 -4.0(6)
C9 C8 C13 O5 175.2(4)
C10 C11 C14 O7 -170.2(4)
C12 C11 C14 O7 7.0(6)
C10 C11 C14 O8 8.1(6)
C12 C11 C14 O8 -174.7(4)
C2 C1 N1 C5 -0.3(6)
C2 C1 N1 Ni1 176.6(3)
C4 C5 N1 C1 0.0(6)
C6 C5 N1 C1 178.2(4)
C4 C5 N1 Ni1 -177.3(3)
C6 C5 N1 Ni1 1.0(5)
C11 C12 N2 C8 1.0(6)
C11 C12 N2 Ni1 179.2(3)
C9 C8 N2 C12 -1.6(7)
C13 C8 N2 C12 177.6(4)
C9 C8 N2 Ni1 179.9(4)
C13 C8 N2 Ni1 -0.9(5)
O2 C6 O1 Ni1 -176.7(4)
C5 C6 O1 Ni1 4.5(5)
O6 C13 O5 Ni1 -172.5(4)
C8 C13 O5 Ni1 6.8(5)
C13 O5 Ni1 O1W 86.8(3)
C13 O5 Ni1 O2W -95.0(3)
C13 O5 Ni1 N1 176.0(3)
C13 O5 Ni1 N2 -5.7(3)
C6 O1 Ni1 O1W 86.4(3)
C6 O1 Ni1 O2W -91.8(3)
C6 O1 Ni1 N1 -3.1(3)
C6 O1 Ni1 N2 178.6(3)
C1 N1 Ni1 O1W 93.3(4)
C5 N1 Ni1 O1W -89.8(3)
C1 N1 Ni1 O5 6.3(4)
C5 N1 Ni1 O5 -176.7(3)
C1 N1 Ni1 O1 -176.0(4)
C5 N1 Ni1 O1 0.9(3)
C1 N1 Ni1 O2W -87.0(4)
C5 N1 Ni1 O2W 90.0(3)
C12 N2 Ni1 O1W 98.4(4)
C8 N2 Ni1 O1W -83.3(3)
C12 N2 Ni1 O5 -175.0(4)
C8 N2 Ni1 O5 3.3(3)
C12 N2 Ni1 O1 7.4(4)
C8 N2 Ni1 O1 -174.4(3)
C12 N2 Ni1 O2W -81.4(4)
C8 N2 Ni1 O2W 96.8(3)
