#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/72/2217233.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_2217233
loop_
_publ_author_name
'Aghabozorg, Hossein'
'Motyeian, Elham'
'Attar Gharamaleki, Jafar'
'Soleimannejad, Janet'
'Ghadermazi, Mohammad'
'Elizabeth Spey Sharon'
_publ_section_title
;Bis(guanidinium)
 bis(4-hydroxypyridine-2,6-dicarboxylato-κ³O²,N,O⁶)nickelate(II)
 dihydrate
;
_journal_coeditor_code           OM2189
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m144
_journal_page_last               m145
_journal_paper_doi               10.1107/S1600536807065026
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '(C H6 N3)2 [Ni (C7 H3 N O5)2], 2H2 O'
_chemical_formula_moiety         '2(C H6 N3 +), C14 H6 N2 Ni O10 2-, 2(H2 O)'
_chemical_formula_sum            'C16 H22 N8 Ni O12'
_chemical_formula_weight         577.13
_chemical_name_systematic
;
Bis(guanidinium)
bis(4-hydroxypyridine-2,6-dicarboxylato-κ³O²,N,O⁶)nickelate(II)
dihydrate
;
_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                101.415(3)
_cell_angle_beta                 103.099(3)
_cell_angle_gamma                91.938(3)
_cell_formula_units_Z            2
_cell_length_a                   8.9253(6)
_cell_length_b                   9.9060(6)
_cell_length_c                   13.2186(9)
_cell_measurement_reflns_used    9699
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      36.26
_cell_measurement_theta_min      2.35
_cell_volume                     1111.99(13)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
;
SHELXTL (Bruker, 2005) and
Mercury (Version 1.4.2; Macrae et al.,  2006)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'ω scans'
_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  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0151
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46516
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         36.35
_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.956
_exptl_absorpt_correction_T_max  0.8699
_exptl_absorpt_correction_T_min  0.6465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.724
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.612
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         10497
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0430P)²+0.2702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0758
_reflns_number_gt                9650
_reflns_number_total             10497
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om2189.cif
_cod_data_source_block           I
_cod_database_code               2217233
_cod_database_fobs_code          2217233
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
Ni Ni1 0.173117(11) 0.423258(10) 0.259400(7) 0.01287(3) Uani d . 1
O O1 -0.00784(7) 0.27245(6) 0.24384(5) 0.01774(10) Uani d . 1
O O2 -0.16765(9) 0.11004(7) 0.12138(5) 0.02439(13) Uani d . 1
O O3 -0.02586(9) 0.20971(7) -0.21698(5) 0.02167(12) Uani d . 1
H H3C -0.0206 0.2745 -0.2554 0.026 Uiso d R 1
O O4 0.35691(8) 0.60277(7) 0.04763(5) 0.02381(12) Uani d . 1
O O5 0.31707(7) 0.56247(6) 0.20082(5) 0.01687(10) Uani d . 1
O O6 0.05225(7) 0.59263(6) 0.32052(4) 0.01635(10) Uani d . 1
O O7 0.02582(8) 0.72029(7) 0.47531(5) 0.02065(11) Uani d . 1
O O8 0.37838(8) 0.46857(7) 0.73456(5) 0.02054(11) Uani d . 1
H H8 0.4719 0.4367 0.7525 0.025 Uiso d R 1
O O9 0.51375(8) 0.19318(7) 0.39007(5) 0.02143(11) Uani d . 1
O O10 0.34554(7) 0.27853(6) 0.26981(5) 0.01768(10) Uani d . 1
O O11 0.32536(8) -0.04310(7) 0.73709(5) 0.02032(11) Uani d . 1
H H11A 0.3814 -0.1076 0.7089 0.024 Uiso d R 1
H H11B 0.2653 -0.0814 0.7719 0.024 Uiso d R 1
O O12 0.37899(13) 0.87354(12) 0.25296(8) 0.0491(3) Uani d . 1
H H12B 0.4704 0.9157 0.2539 0.059 Uiso d R 1
H H12A 0.3664 0.7820 0.2257 0.059 Uiso d R 1
N N1 0.09970(7) 0.36856(6) 0.10372(5) 0.01309(10) Uani d . 1
N N2 0.25270(7) 0.44832(6) 0.41390(5) 0.01274(10) Uani d . 1
N N3 0.50285(9) 0.28895(8) 0.10335(6) 0.02072(13) Uani d . 1
H H3A 0.5659 0.3475 0.0847 0.025 Uiso d R 1
H H3B 0.4860 0.3064 0.1691 0.025 Uiso d R 1
N N4 0.43549(11) 0.16824(9) -0.06920(7) 0.02808(17) Uani d . 1
H H4A 0.5014 0.2288 -0.0833 0.034 Uiso d R 1
H H4B 0.3907 0.0927 -0.1182 0.034 Uiso d R 1
N N5 0.32885(10) 0.09767(8) 0.05716(6) 0.02313(14) Uani d . 1
H H5A 0.3226 0.1189 0.1254 0.028 Uiso d R 1
H H5B 0.2719 0.0285 0.0071 0.028 Uiso d R 1
N N6 0.12908(10) 0.08178(8) 0.38427(6) 0.02258(13) Uani d . 1
H H6A 0.0636 0.1481 0.3920 0.027 Uiso d R 1
H H6B 0.1274 0.0351 0.3182 0.027 Uiso d R 1
N N7 0.29526(10) -0.06930(9) 0.45012(7) 0.02577(15) Uani d . 1
H H7A 0.3483 -0.1044 0.5041 0.031 Uiso d R 1
H H7B 0.3174 -0.0873 0.3859 0.031 Uiso d R 1
N N8 0.18342(10) 0.08088(8) 0.56283(6) 0.02222(13) Uani d . 1
H H8A 0.1141 0.1442 0.5680 0.027 Uiso d R 1
H H8B 0.2214 0.0388 0.6166 0.027 Uiso d R 1
C C1 -0.06666(9) 0.20926(8) 0.14912(6) 0.01563(12) Uani d . 1
C C2 -0.00601(8) 0.26094(7) 0.06391(6) 0.01391(11) Uani d . 1
C C3 -0.04990(9) 0.20506(8) -0.04397(6) 0.01656(12) Uani d . 1
H H3 -0.1226 0.1295 -0.0705 0.020 Uiso calc R 1
C C4 0.01756(9) 0.26469(8) -0.11267(6) 0.01546(12) Uani d . 1
C C5 0.12882(9) 0.37751(8) -0.06979(6) 0.01465(11) Uani d . 1
H H5 0.1754 0.4190 -0.1134 0.018 Uiso calc R 1
C C6 0.16685(8) 0.42490(7) 0.03947(5) 0.01292(11) Uani d . 1
C C7 0.28988(9) 0.53963(8) 0.09859(6) 0.01487(11) Uani d . 1
C C8 0.08025(9) 0.62575(7) 0.42266(6) 0.01421(11) Uani d . 1
C C9 0.19209(8) 0.53834(7) 0.47982(5) 0.01287(11) Uani d . 1
C C10 0.23152(9) 0.54827(8) 0.58878(6) 0.01447(11) Uani d . 1
H H10 0.1879 0.6108 0.6338 0.017 Uiso calc R 1
C C11 0.33960(9) 0.46069(8) 0.62872(6) 0.01443(11) Uani d . 1
C C12 0.40380(9) 0.36772(8) 0.55896(6) 0.01472(11) Uani d . 1
H H12 0.4767 0.3100 0.5843 0.018 Uiso calc R 1
C C13 0.35558(8) 0.36443(7) 0.45134(6) 0.01300(11) Uani d . 1
C C14 0.41057(9) 0.26960(7) 0.36476(6) 0.01460(11) Uani d . 1
C C15 0.42237(9) 0.18398(8) 0.03028(6) 0.01729(12) Uani d . 1
C C16 0.20223(9) 0.02991(8) 0.46651(7) 0.01741(12) Uani 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'
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
_geom_angle_publ_flag
N2 Ni1 N1 171.30(3) y
O1 Ni1 O5 154.97(2) y
O10 Ni1 O6 154.87(2) y
N2 Ni1 O1 96.84(2) ?
N1 Ni1 O1 78.70(2) ?
N2 Ni1 O10 77.95(2) ?
N1 Ni1 O10 94.76(2) ?
O1 Ni1 O10 93.41(3) y
N2 Ni1 O6 77.41(2) ?
N1 Ni1 O6 110.20(2) ?
O1 Ni1 O6 94.31(2) ?
N2 Ni1 O5 108.19(2) ?
N1 Ni1 O5 76.46(2) ?
O10 Ni1 O5 91.73(2) ?
O6 Ni1 O5 91.30(2) y
C1 O1 Ni1 114.35(5) ?
C4 O3 H3C 111.0 ?
C7 O5 Ni1 113.28(5) ?
C8 O6 Ni1 114.63(5) ?
C11 O8 H8 109.2 ?
C14 O10 Ni1 114.35(5) ?
H11A O11 H11B 109.4 ?
H12B O12 H12A 115.5 ?
C6 N1 C2 120.41(6) ?
C6 N1 Ni1 121.23(5) ?
C2 N1 Ni1 117.81(5) ?
C9 N2 C13 120.78(6) ?
C9 N2 Ni1 119.82(5) ?
C13 N2 Ni1 119.03(5) ?
C15 N3 H3A 119.6 ?
C15 N3 H3B 119.6 ?
H3A N3 H3B 120.4 ?
C15 N4 H4A 117.6 ?
C15 N4 H4B 120.5 ?
H4A N4 H4B 121.3 ?
C15 N5 H5A 115.0 ?
C15 N5 H5B 119.8 ?
H5A N5 H5B 125.0 ?
C16 N6 H6A 121.8 ?
C16 N6 H6B 118.1 ?
H6A N6 H6B 118.4 ?
C16 N7 H7A 121.3 ?
C16 N7 H7B 116.5 ?
H7A N7 H7B 121.1 ?
C16 N8 H8A 116.9 ?
C16 N8 H8B 119.8 ?
H8A N8 H8B 121.8 ?
O2 C1 O1 125.67(7) ?
O2 C1 C2 118.69(7) ?
O1 C1 C2 115.64(6) ?
N1 C2 C3 121.56(7) ?
N1 C2 C1 112.83(6) ?
C3 C2 C1 125.60(7) ?
C2 C3 C4 118.69(7) ?
C2 C3 H3 120.7 ?
C4 C3 H3 120.7 ?
O3 C4 C3 118.15(7) ?
O3 C4 C5 122.66(7) ?
C3 C4 C5 119.18(7) ?
C6 C5 C4 117.89(6) ?
C6 C5 H5 121.1 ?
C4 C5 H5 121.1 ?
N1 C6 C5 122.25(7) ?
N1 C6 C7 113.16(6) ?
C5 C6 C7 124.55(6) ?
O4 C7 O5 125.12(7) ?
O4 C7 C6 119.22(7) ?
O5 C7 C6 115.66(6) ?
O7 C8 O6 126.10(7) ?
O7 C8 C9 119.17(7) ?
O6 C8 C9 114.73(6) ?
N2 C9 C10 121.93(7) ?
N2 C9 C8 112.93(6) ?
C10 C9 C8 125.14(7) ?
C9 C10 C11 117.64(7) ?
C9 C10 H10 121.2 ?
C11 C10 H10 121.2 ?
O8 C11 C12 121.73(7) ?
O8 C11 C10 118.30(7) ?
C12 C11 C10 119.96(6) ?
C13 C12 C11 118.05(7) ?
C13 C12 H12 121.0 ?
C11 C12 H12 121.0 ?
N2 C13 C12 121.62(7) ?
N2 C13 C14 113.12(6) ?
C12 C13 C14 125.25(7) ?
O9 C14 O10 125.71(7) ?
O9 C14 C13 119.11(7) ?
O10 C14 C13 115.17(6) ?
N4 C15 N5 120.87(8) ?
N4 C15 N3 119.19(8) ?
N5 C15 N3 119.93(8) ?
N8 C16 N7 121.25(8) ?
N8 C16 N6 119.57(8) ?
N7 C16 N6 119.16(8) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 N2 1.9665(6) y
Ni1 N1 1.9700(6) y
Ni1 O1 2.1088(6) y
Ni1 O10 2.1387(6) y
Ni1 O6 2.1477(6) y
Ni1 O5 2.2149(6) y
O1 C1 1.2668(9) ?
O2 C1 1.2492(10) ?
O3 C4 1.3394(9) ?
O3 H3C 0.9000 ?
O4 C7 1.2357(9) ?
O5 C7 1.2895(9) ?
O6 C8 1.2880(9) ?
O7 C8 1.2343(10) ?
O8 C11 1.3485(9) ?
O8 H8 0.9000 ?
O9 C14 1.2413(9) ?
O10 C14 1.2796(9) ?
O11 H11A 0.9000 ?
O11 H11B 0.9001 ?
O12 H12B 0.9000 ?
O12 H12A 0.9000 ?
N1 C6 1.3371(9) ?
N1 C2 1.3374(9) ?
N2 C9 1.3363(9) ?
N2 C13 1.3368(9) ?
N3 C15 1.3296(10) ?
N3 H3A 0.9001 ?
N3 H3B 0.9001 ?
N4 C15 1.3256(11) ?
N4 H4A 0.9000 ?
N4 H4B 0.9000 ?
N5 C15 1.3267(11) ?
N5 H5A 0.9002 ?
N5 H5B 0.9000 ?
N6 C16 1.3394(10) ?
N6 H6A 0.9000 ?
N6 H6B 0.9001 ?
N7 C16 1.3247(11) ?
N7 H7A 0.9000 ?
N7 H7B 0.8999 ?
N8 C16 1.3238(11) ?
N8 H8A 0.9000 ?
N8 H8B 0.9002 ?
C1 C2 1.5198(10) ?
C2 C3 1.3832(10) ?
C3 C4 1.4044(11) ?
C3 H3 0.9300 ?
C4 C5 1.4055(11) ?
C5 C6 1.3857(10) ?
C5 H5 0.9300 ?
C6 C7 1.5111(10) ?
C8 C9 1.5141(10) ?
C9 C10 1.3856(10) ?
C10 C11 1.4032(11) ?
C10 H10 0.9300 ?
C11 C12 1.4021(11) ?
C12 C13 1.3833(10) ?
C12 H12 0.9300 ?
C13 C14 1.5143(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
O3 H3C O6 2_565 0.90 1.71 2.5901(8) 165.9
O8 H8 O5 2_666 0.90 1.84 2.7057(9) 159.7
O11 H11A O9 2_656 0.90 1.86 2.7106(9) 156.0
O11 H11B O2 2_556 0.90 1.88 2.7464(9) 161.3
O12 H12B O11 2_666 0.90 2.15 3.0425(12) 171.9
O12 H12A O5 . 0.90 2.15 3.0244(13) 164.0
O12 H12A O4 . 0.90 2.64 3.3823(12) 141.0
N3 H3A O4 2_665 0.90 2.15 2.9307(10) 143.9
N3 H3B O10 . 0.90 2.07 2.8817(10) 149.0
N4 H4A O4 2_665 0.90 1.97 2.8072(11) 154.0
N4 H4B O11 1_554 0.90 2.06 2.9161(10) 159.3
N5 H5A O10 . 0.90 2.19 2.9887(10) 147.7
N5 H5B O2 2 0.90 1.98 2.8656(10) 169.0
N6 H6A O7 2_566 0.90 2.28 3.0178(11) 138.6
N6 H6A O1 . 0.90 2.49 3.0038(9) 116.7
N6 H6B O3 2 0.90 2.55 3.2320(11) 132.8
N7 H7A O9 2_656 0.90 2.01 2.8999(10) 171.6
N7 H7B O12 1_545 0.90 1.93 2.8282(13) 176.2
N8 H8A O7 2_566 0.90 1.94 2.7993(10) 157.9
N8 H8B O11 . 0.90 1.99 2.8847(10) 174.2
N5 H5A Cg1(N1/C2--C6) 1_555 0.90 3.47 3.362(7) 75.3
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
_geom_torsion_publ_flag
N2 Ni1 O1 C1 -165.80(6) ?
N1 Ni1 O1 C1 6.63(6) ?
O10 Ni1 O1 C1 -87.54(6) ?
O6 Ni1 O1 C1 116.39(6) ?
O5 Ni1 O1 C1 13.95(10) ?
N2 Ni1 O5 C7 170.16(5) ?
N1 Ni1 O5 C7 -2.20(5) ?
O1 Ni1 O5 C7 -9.58(9) ?
O10 Ni1 O5 C7 92.27(5) y
O6 Ni1 O5 C7 -112.67(5) ?
N2 Ni1 O6 C8 -2.86(5) ?
N1 Ni1 O6 C8 172.73(5) ?
O1 Ni1 O6 C8 93.20(5) y
O10 Ni1 O6 C8 -14.34(9) ?
O5 Ni1 O6 C8 -111.22(5) ?
N2 Ni1 O10 C14 3.50(5) ?
N1 Ni1 O10 C14 -171.70(6) ?
O1 Ni1 O10 C14 -92.77(6) ?
O6 Ni1 O10 C14 14.95(9) ?
O5 Ni1 O10 C14 111.74(6) ?
N2 Ni1 N1 C6 -119.19(16) ?
O1 Ni1 N1 C6 -179.02(6) ?
O10 Ni1 N1 C6 -86.48(6) ?
O6 Ni1 N1 C6 90.51(6) ?
O5 Ni1 N1 C6 4.16(6) ?
N2 Ni1 N1 C2 52.35(19) ?
O1 Ni1 N1 C2 -7.48(6) ?
O10 Ni1 N1 C2 85.06(6) ?
O6 Ni1 N1 C2 -97.95(6) ?
O5 Ni1 N1 C2 175.70(6) ?
N1 Ni1 N2 C9 -145.37(15) ?
O1 Ni1 N2 C9 -86.74(6) ?
O10 Ni1 N2 C9 -178.78(6) ?
O6 Ni1 N2 C9 6.18(5) ?
O5 Ni1 N2 C9 93.38(6) ?
N1 Ni1 N2 C13 27.7(2) ?
O1 Ni1 N2 C13 86.32(6) ?
O10 Ni1 N2 C13 -5.72(5) ?
O6 Ni1 N2 C13 179.23(6) ?
O5 Ni1 N2 C13 -93.57(6) ?
Ni1 O1 C1 O2 174.96(7) ?
Ni1 O1 C1 C2 -4.79(9) ?
C6 N1 C2 C3 -0.36(11) ?
Ni1 N1 C2 C3 -171.97(6) ?
C6 N1 C2 C1 178.76(6) ?
Ni1 N1 C2 C1 7.15(8) ?
O2 C1 C2 N1 179.06(7) ?
O1 C1 C2 N1 -1.17(10) ?
O2 C1 C2 C3 -1.87(12) ?
O1 C1 C2 C3 177.90(8) ?
N1 C2 C3 C4 -0.79(12) ?
C1 C2 C3 C4 -179.78(7) ?
C2 C3 C4 O3 -179.99(7) ?
C2 C3 C4 C5 0.95(12) ?
O3 C4 C5 C6 -179.04(7) ?
C3 C4 C5 C6 -0.02(11) ?
C2 N1 C6 C5 1.36(11) ?
Ni1 N1 C6 C5 172.68(5) ?
C2 N1 C6 C7 -176.55(6) ?
Ni1 N1 C6 C7 -5.23(8) ?
C4 C5 C6 N1 -1.14(11) ?
C4 C5 C6 C7 176.52(7) ?
Ni1 O5 C7 O4 -179.06(7) ?
Ni1 O5 C7 C6 0.27(8) ?
N1 C6 C7 O4 -177.72(7) ?
C5 C6 C7 O4 4.43(12) ?
N1 C6 C7 O5 2.91(10) ?
C5 C6 C7 O5 -174.94(7) ?
Ni1 O6 C8 O7 179.06(7) ?
Ni1 O6 C8 C9 -0.37(8) ?
C13 N2 C9 C10 -0.51(11) ?
Ni1 N2 C9 C10 172.42(5) ?
C13 N2 C9 C8 178.98(6) ?
Ni1 N2 C9 C8 -8.09(8) ?
O7 C8 C9 N2 -174.29(7) ?
O6 C8 C9 N2 5.18(9) ?
O7 C8 C9 C10 5.17(11) ?
O6 C8 C9 C10 -175.36(7) ?
N2 C9 C10 C11 0.58(11) ?
C8 C9 C10 C11 -178.84(7) ?
C9 C10 C11 O8 -179.59(7) ?
C9 C10 C11 C12 0.16(11) ?
O8 C11 C12 C13 178.81(7) ?
C10 C11 C12 C13 -0.94(11) ?
C9 N2 C13 C12 -0.33(11) ?
Ni1 N2 C13 C12 -173.32(5) ?
C9 N2 C13 C14 179.79(6) ?
Ni1 N2 C13 C14 6.80(8) ?
C11 C12 C13 N2 1.04(11) ?
C11 C12 C13 C14 -179.09(7) ?
Ni1 O10 C14 O9 -179.76(7) ?
Ni1 O10 C14 C13 -1.05(8) ?
N2 C13 C14 O9 175.34(7) ?
C12 C13 C14 O9 -4.54(11) ?
N2 C13 C14 O10 -3.46(9) ?
C12 C13 C14 O10 176.66(7) ?
