#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/62/2016226.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_2016226
loop_
_publ_author_name
'Zhang, Xiang-Dong'
'Ge, Chun-Hua'
'Yu, Fang'
'Liu, Qi-Tao'
'Zhu, Miao-Li'
_publ_section_title
;
 Formation of a one-dimensional water chain containing two linking
 patterns of planar water tetramers
;
_journal_coeditor_code           AV3107
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m519
_journal_page_last               m521
_journal_paper_doi               10.1107/S0108270107047294
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ni2 (C14 H12 N2 O8) (C12 H8 N2)2 (H2 O)2] , 12H2 O'
_chemical_formula_moiety         'C38 H32 N6 Ni2 O10 , 12H2 O'
_chemical_formula_sum            'C38 H56 N6 Ni2 O22'
_chemical_formula_weight         1066.31
_chemical_name_systematic
;
μ-p-phenylenediamine-N,N,N',N'-tetraacetato-
bis[aqua(1,10-phenanthroline)nickel(II)]
;
_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                91.3360(10)
_cell_angle_beta                 108.4260(10)
_cell_angle_gamma                107.5360(10)
_cell_formula_units_Z            1
_cell_length_a                   10.2082(7)
_cell_length_b                   10.3481(7)
_cell_length_c                   12.4101(8)
_cell_measurement_reflns_used    645
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      22.46
_cell_measurement_theta_min      2.75
_cell_volume                     1175.71(14)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0156
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6344
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.888
_exptl_absorpt_correction_T_max  0.849
_exptl_absorpt_correction_T_min  0.777
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             558
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.322
_refine_diff_density_min         -0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4092
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0331
_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)+(0.0473P)²+0.1519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0833
_reflns_number_gt                3613
_reflns_number_total             4092
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            av3107.cif
_cod_data_source_block           I
_cod_database_code               2016226
_cod_database_fobs_code          2016226
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 0.24698(3) 0.20513(3) 0.12975(2) 0.01974(10) Uani d . 1
N N1 0.32658(19) 0.15431(17) 0.00485(15) 0.0219(4) Uani d . 1
N N2 0.4609(2) 0.23217(17) 0.22986(15) 0.0235(4) Uani d . 1
N N3 0.28895(18) 0.42482(16) 0.11306(14) 0.0192(4) Uani d . 1
O O1 0.16863(18) 0.01076(15) 0.16068(14) 0.0357(4) Uani d . 1
H H1A 0.1019 -0.0528 0.1110 0.054 Uiso d R 1
H H1B 0.2117 -0.0241 0.2168 0.054 Uiso d R 1
O O2 0.19289(17) 0.27094(14) 0.26139(13) 0.0274(4) Uani d . 1
O O3 0.22254(19) 0.45257(16) 0.37774(13) 0.0341(4) Uani d . 1
O O4 0.05353(15) 0.18899(14) 0.00605(13) 0.0246(3) Uani d . 1
O O5 -0.05917(17) 0.30612(15) -0.11608(13) 0.0308(4) Uani d . 1
O O6 0.4096(2) 0.1036(2) 0.56415(17) 0.0563(5) Uani d . 1
H H6A 0.3846 0.1748 0.5657 0.084 Uiso d R 1
H H6B 0.3703 0.0569 0.4981 0.084 Uiso d R 1
O O7 0.32015(19) 0.33440(17) 0.58451(14) 0.0418(4) Uani d . 1
H H7A 0.3020 0.3741 0.5250 0.063 Uiso d R 1
H H7B 0.2402 0.2901 0.5934 0.063 Uiso d R 1
O O8 0.6859(2) 0.08154(17) 0.64381(15) 0.0436(5) Uani d . 1
H H8A 0.7474 0.1571 0.6416 0.065 Uiso d R 1
H H8B 0.6008 0.0858 0.6182 0.065 Uiso d R 1
O O9 0.0137(2) 0.07804(18) 0.36227(16) 0.0479(5) Uani d . 1
H H9A 0.0706 0.1266 0.3312 0.072 Uiso d R 1
H H9B 0.0226 0.1223 0.4241 0.072 Uiso d R 1
O O10 0.0444(2) 0.18741(18) 0.58790(17) 0.0511(5) Uani d . 1
H H10A 0.0230 0.1192 0.6106 0.077 Uiso d R 1
H H10B 0.0101 0.2348 0.6124 0.077 Uiso d R 1
O O11 0.0946(2) 0.6558(2) 0.33375(15) 0.0507(5) Uani d . 1
H H11A 0.0699 0.6543 0.2611 0.076 Uiso d R 1
H H11B 0.1255 0.5888 0.3521 0.076 Uiso d R 1
C C1 0.2576(3) 0.1115(2) -0.10633(19) 0.0283(5) Uani d . 1
H H1 0.1545 0.0904 -0.1356 0.034 Uiso calc R 1
C C2 0.3300(3) 0.0959(2) -0.1825(2) 0.0347(6) Uani d . 1
H H2 0.2766 0.0649 -0.2615 0.042 Uiso calc R 1
C C3 0.4774(3) 0.1258(2) -0.1417(2) 0.0370(6) Uani d . 1
H H3 0.5280 0.1173 -0.1925 0.044 Uiso calc R 1
C C4 0.5556(3) 0.1695(2) -0.0238(2) 0.0310(5) Uani d . 1
C C5 0.4738(2) 0.1814(2) 0.04599(19) 0.0234(5) Uani d . 1
C C6 0.5460(2) 0.2224(2) 0.16695(19) 0.0241(5) Uani d . 1
C C7 0.7089(3) 0.1980(2) 0.0271(3) 0.0390(6) Uani d . 1
H H7 0.7642 0.1897 -0.0199 0.047 Uiso calc R 1
C C8 0.7774(3) 0.2367(2) 0.1409(3) 0.0430(7) Uani d . 1
H H8 0.8800 0.2554 0.1723 0.052 Uiso calc R 1
C C9 0.6977(3) 0.2500(2) 0.2152(2) 0.0334(6) Uani d . 1
C C10 0.7605(3) 0.2873(3) 0.3340(3) 0.0467(7) Uani d . 1
H H10 0.8626 0.3068 0.3707 0.056 Uiso calc R 1
C C11 0.6743(3) 0.2954(3) 0.3970(2) 0.0489(8) Uani d . 1
H H11 0.7161 0.3202 0.4777 0.059 Uiso calc R 1
C C12 0.5249(3) 0.2671(2) 0.34218(19) 0.0339(6) Uani d . 1
H H12 0.4663 0.2730 0.3871 0.041 Uiso calc R 1
C C13 0.3969(2) 0.46920(19) 0.05752(17) 0.0187(4) Uani d . 1
C C14 0.5453(2) 0.5237(2) 0.11799(17) 0.0207(4) Uani d . 1
H H14 0.5781 0.5414 0.1992 0.025 Uiso calc R 1
C C15 0.3537(2) 0.4473(2) -0.06187(17) 0.0203(4) Uani d . 1
H H15 0.2526 0.4117 -0.1056 0.024 Uiso calc R 1
C C16 0.3298(2) 0.4904(2) 0.23157(18) 0.0238(5) Uani d . 1
H H16A 0.3121 0.5793 0.2297 0.029 Uiso calc R 1
H H16B 0.4351 0.5075 0.2724 0.029 Uiso calc R 1
C C17 0.2402(2) 0.3983(2) 0.29523(18) 0.0248(5) Uani d . 1
C C18 0.1443(2) 0.4323(2) 0.04394(18) 0.0220(5) Uani d . 1
H H18A 0.1586 0.5043 -0.0064 0.026 Uiso calc R 1
H H18B 0.0991 0.4604 0.0963 0.026 Uiso calc R 1
C C19 0.0392(2) 0.2997(2) -0.02968(18) 0.0222(5) 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_site_symmetry_1
_geom_angle
O1 Ni1 O4 . 91.80(6)
O1 Ni1 O2 . 88.91(6)
O4 Ni1 O2 . 95.11(6)
O1 Ni1 N2 . 94.61(7)
O4 Ni1 N2 . 168.58(7)
O2 Ni1 N2 . 94.45(7)
O1 Ni1 N1 . 95.16(7)
O4 Ni1 N1 . 90.10(6)
O2 Ni1 N1 . 173.29(6)
N2 Ni1 N1 . 79.93(7)
O1 Ni1 N3 . 165.10(7)
O4 Ni1 N3 . 82.02(6)
O2 Ni1 N3 . 78.22(6)
N2 Ni1 N3 . 93.85(6)
N1 Ni1 N3 . 98.38(6)
C1 N1 C5 . 117.81(19)
C1 N1 Ni1 . 129.74(16)
C5 N1 Ni1 . 112.21(14)
C12 N2 C6 . 117.9(2)
C12 N2 Ni1 . 128.95(17)
C6 N2 Ni1 . 112.91(14)
C13 N3 C16 . 116.41(16)
C13 N3 C18 . 112.93(16)
C16 N3 C18 . 109.21(16)
C13 N3 Ni1 . 109.17(12)
C16 N3 Ni1 . 104.08(12)
C18 N3 Ni1 . 103.94(11)
Ni1 O1 H1A . 124.1
Ni1 O1 H1B . 124.7
H1A O1 H1B . 109.1
C17 O2 Ni1 . 117.66(14)
C19 O4 Ni1 . 116.21(13)
H6A O6 H6B . 111.7
H7A O7 H7B . 109.1
H8A O8 H8B . 110.0
H9A O9 H9B . 109.7
H10A O10 H10B . 106.7
H11A O11 H11B . 108.5
N1 C1 C2 . 123.0(2)
N1 C1 H1 . 118.5
C2 C1 H1 . 118.5
C3 C2 C1 . 119.1(2)
C3 C2 H2 . 120.5
C1 C2 H2 . 120.5
C2 C3 C4 . 120.1(2)
C2 C3 H3 . 119.9
C4 C3 H3 . 119.9
C5 C4 C3 . 116.8(2)
C5 C4 C7 . 119.2(2)
C3 C4 C7 . 124.0(2)
N1 C5 C4 . 123.2(2)
N1 C5 C6 . 117.14(19)
C4 C5 C6 . 119.7(2)
N2 C6 C9 . 123.1(2)
N2 C6 C5 . 116.90(19)
C9 C6 C5 . 120.0(2)
C8 C7 C4 . 121.4(2)
C8 C7 H7 . 119.3
C4 C7 H7 . 119.3
C7 C8 C9 . 121.1(2)
C7 C8 H8 . 119.4
C9 C8 H8 . 119.4
C10 C9 C6 . 117.0(2)
C10 C9 C8 . 124.4(2)
C6 C9 C8 . 118.6(2)
C11 C10 C9 . 119.7(2)
C11 C10 H10 . 120.2
C9 C10 H10 . 120.2
C10 C11 C12 . 119.6(3)
C10 C11 H11 . 120.2
C12 C11 H11 . 120.2
N2 C12 C11 . 122.7(3)
N2 C12 H12 . 118.6
C11 C12 H12 . 118.6
C14 C13 C15 . 117.39(19)
C14 C13 N3 . 122.72(18)
C15 C13 N3 . 119.68(18)
C15 C14 C13 2_665 121.04(19)
C15 C14 H14 2_665 119.5
C13 C14 H14 . 119.5
C14 C15 C13 2_665 121.56(19)
C14 C15 H15 2_665 119.2
C13 C15 H15 . 119.2
N3 C16 C17 . 110.22(16)
N3 C16 H16A . 109.6
C17 C16 H16A . 109.6
N3 C16 H16B . 109.6
C17 C16 H16B . 109.6
H16A C16 H16B . 108.1
O3 C17 O2 . 125.0(2)
O3 C17 C16 . 118.07(19)
O2 C17 C16 . 116.94(18)
N3 C18 C19 . 114.48(16)
N3 C18 H18A . 108.6
C19 C18 H18A . 108.6
N3 C18 H18B . 108.6
C19 C18 H18B . 108.6
H18A C18 H18B . 107.6
O5 C19 O4 . 124.43(19)
O5 C19 C18 . 118.16(18)
O4 C19 C18 . 117.26(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ni1 O1 . 2.0232(15)
Ni1 O4 . 2.0389(14)
Ni1 O2 . 2.0452(15)
Ni1 N2 . 2.0718(18)
Ni1 N1 . 2.0869(18)
Ni1 N3 . 2.2104(16)
N1 C1 . 1.329(3)
N1 C5 . 1.361(3)
N2 C12 . 1.326(3)
N2 C6 . 1.360(3)
N3 C13 . 1.445(3)
N3 C16 . 1.481(3)
N3 C18 . 1.482(3)
O1 H1A . 0.8499
O1 H1B . 0.8499
O2 C17 . 1.268(3)
O3 C17 . 1.244(3)
O4 C19 . 1.270(2)
O5 C19 . 1.235(3)
O6 H6A . 0.8501
O6 H6B . 0.8502
O7 H7A . 0.8500
O7 H7B . 0.8500
O8 H8A . 0.8499
O8 H8B . 0.8409
O9 H9A . 0.8447
O9 H9B . 0.8492
O10 H10A . 0.7615
O10 H10B . 0.7868
O11 H11A . 0.8543
O11 H11B . 0.8520
C1 C2 . 1.405(3)
C1 H1 . 0.9500
C2 C3 . 1.360(4)
C2 H2 . 0.9500
C3 C4 . 1.412(3)
C3 H3 . 0.9500
C4 C5 . 1.406(3)
C4 C7 . 1.422(4)
C5 C6 . 1.435(3)
C6 C9 . 1.407(3)
C7 C8 . 1.351(4)
C7 H7 . 0.9500
C8 C9 . 1.438(4)
C8 H8 . 0.9500
C9 C10 . 1.400(4)
C10 C11 . 1.367(4)
C10 H10 . 0.9500
C11 C12 . 1.393(4)
C11 H11 . 0.9500
C12 H12 . 0.9500
C13 C14 . 1.387(3)
C13 C15 . 1.397(3)
C14 C15 2_665 1.384(3)
C14 H14 . 0.9500
C15 C14 2_665 1.384(3)
C15 H15 . 0.9500
C16 C17 . 1.528(3)
C16 H16A . 0.9900
C16 H16B . 0.9900
C18 C19 . 1.518(3)
C18 H18A . 0.9900
C18 H18B . 0.9900
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
O11 H11A O5 2_565 0.85 1.83 2.665(2) 164
O11 H11B O3 . 0.85 1.93 2.772(2) 169
O10 H10A O9 2_556 0.76 2.02 2.758(3) 164
O10 H10B O11 2_566 0.79 2.00 2.789(3) 175
O9 H9B O10 . 0.85 2.05 2.882(3) 167
O9 H9A O2 . 0.84 2.04 2.874(2) 170
O8 H8A O11 2_666 0.85 2.05 2.896(3) 170
O8 H8B O6 . 0.84 1.92 2.761(3) 177
O7 H7A O3 . 0.85 2.05 2.887(2) 170
O7 H7B O10 . 0.85 1.94 2.781(3) 171
O6 H6B O8 2_656 0.85 2.06 2.887(3) 165
O6 H6A O7 . 0.85 1.99 2.834(3) 174
O1 H1B O8 2_656 0.85 1.93 2.773(2) 173
O1 H1A O5 2 0.85 2.53 3.102(2) 126
O1 H1A O4 2 0.85 1.93 2.776(2) 177
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_4
_geom_torsion
O1 Ni1 N1 C1 . 83.81(18)
O4 Ni1 N1 C1 . -8.01(18)
N2 Ni1 N1 C1 . 177.59(19)
N3 Ni1 N1 C1 . -89.96(18)
O1 Ni1 N1 C5 . -102.05(14)
O4 Ni1 N1 C5 . 166.13(14)
N2 Ni1 N1 C5 . -8.27(13)
N3 Ni1 N1 C5 . 84.18(14)
O1 Ni1 N2 C12 . -83.36(19)
O4 Ni1 N2 C12 . 152.7(3)
O2 Ni1 N2 C12 . 5.90(19)
N1 Ni1 N2 C12 . -177.8(2)
N3 Ni1 N2 C12 . 84.36(19)
O1 Ni1 N2 C6 . 102.38(14)
O4 Ni1 N2 C6 . -21.6(4)
O2 Ni1 N2 C6 . -168.37(14)
N1 Ni1 N2 C6 . 7.94(13)
N3 Ni1 N2 C6 . -89.90(14)
O1 Ni1 N3 C13 . -174.9(2)
O4 Ni1 N3 C13 . -108.65(13)
O2 Ni1 N3 C13 . 154.40(13)
N2 Ni1 N3 C13 . 60.64(13)
N1 Ni1 N3 C13 . -19.73(13)
O1 Ni1 N3 C16 . 60.2(3)
O4 Ni1 N3 C16 . 126.42(13)
O2 Ni1 N3 C16 . 29.46(13)
N2 Ni1 N3 C16 . -64.29(13)
N1 Ni1 N3 C16 . -144.67(13)
O1 Ni1 N3 C18 . -54.1(3)
O4 Ni1 N3 C18 . 12.10(12)
O2 Ni1 N3 C18 . -84.86(13)
N2 Ni1 N3 C18 . -178.61(13)
N1 Ni1 N3 C18 . 101.02(13)
O1 Ni1 O2 C17 . 169.24(16)
O4 Ni1 O2 C17 . -99.04(16)
N2 Ni1 O2 C17 . 74.70(16)
N3 Ni1 O2 C17 . -18.31(15)
O1 Ni1 O4 C19 . 168.62(15)
O2 Ni1 O4 C19 . 79.55(15)
N2 Ni1 O4 C19 . -67.2(4)
N1 Ni1 O4 C19 . -96.21(15)
N3 Ni1 O4 C19 . 2.24(15)
C5 N1 C1 C2 . -1.3(3)
Ni1 N1 C1 C2 . 172.56(15)
N1 C1 C2 C3 . -0.1(3)
C1 C2 C3 C4 . 1.1(3)
C2 C3 C4 C5 . -0.8(3)
C2 C3 C4 C7 . 177.5(2)
C1 N1 C5 C4 . 1.7(3)
Ni1 N1 C5 C4 . -173.25(15)
C1 N1 C5 C6 . -177.62(18)
Ni1 N1 C5 C6 . 7.5(2)
C3 C4 C5 N1 . -0.6(3)
C7 C4 C5 N1 . -179.04(19)
C3 C4 C5 C6 . 178.64(18)
C7 C4 C5 C6 . 0.2(3)
C12 N2 C6 C9 . -1.3(3)
Ni1 N2 C6 C9 . 173.70(16)
C12 N2 C6 C5 . 178.59(18)
Ni1 N2 C6 C5 . -6.5(2)
N1 C5 C6 N2 . -0.7(3)
C4 C5 C6 N2 . 179.95(18)
N1 C5 C6 C9 . 179.10(18)
C4 C5 C6 C9 . -0.2(3)
C5 C4 C7 C8 . -0.2(3)
C3 C4 C7 C8 . -178.5(2)
C4 C7 C8 C9 . 0.3(4)
N2 C6 C9 C10 . 0.9(3)
C5 C6 C9 C10 . -178.9(2)
N2 C6 C9 C8 . -179.96(19)
C5 C6 C9 C8 . 0.2(3)
C7 C8 C9 C10 . 178.8(2)
C7 C8 C9 C6 . -0.2(3)
C6 C9 C10 C11 . -0.1(4)
C8 C9 C10 C11 . -179.2(2)
C9 C10 C11 C12 . -0.3(4)
C6 N2 C12 C11 . 0.8(3)
Ni1 N2 C12 C11 . -173.18(18)
C10 C11 C12 N2 . -0.1(4)
C16 N3 C13 C14 . 25.5(3)
C18 N3 C13 C14 . 153.00(18)
Ni1 N3 C13 C14 . -91.91(19)
C16 N3 C13 C15 . -159.83(18)
C18 N3 C13 C15 . -32.3(2)
Ni1 N3 C13 C15 . 82.77(18)
C15 C13 C14 C15 2_665 -1.2(3)
N3 C13 C14 C15 2_665 173.65(18)
C14 C13 C15 C14 2_665 1.2(3)
N3 C13 C15 C14 2_665 -173.81(18)
C13 N3 C16 C17 . -156.71(17)
C18 N3 C16 C17 . 74.0(2)
Ni1 N3 C16 C17 . -36.54(19)
Ni1 O2 C17 O3 . -176.24(17)
Ni1 O2 C17 C16 . 1.7(2)
N3 C16 C17 O3 . -155.87(19)
N3 C16 C17 O2 . 26.1(3)
C13 N3 C18 C19 . 94.7(2)
C16 N3 C18 C19 . -134.06(18)
Ni1 N3 C18 C19 . -23.46(19)
Ni1 O4 C19 O5 . 167.57(17)
Ni1 O4 C19 C18 . -16.9(2)
N3 C18 C19 O5 . -155.30(19)
N3 C18 C19 O4 . 28.9(3)
