#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/73/2217336.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_2217336
loop_
_publ_author_name
'Zhao, Kai'
'Yin, Xian-Hong'
'Feng, Yu'
'Zhu, Jie'
'Lin, Cui-Wu'
_publ_section_title
;
 Bis[3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II)
 tetrahydrate
;
_journal_coeditor_code           TK2215
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m64
_journal_page_last               m65
_journal_paper_doi               10.1107/S1600536807063003
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ni (C11 H9 Cl N3 O2)2] , 4H2 O'
_chemical_formula_moiety         'C22 H18 Cl2 N6 Ni O4 , 4H2 O'
_chemical_formula_sum            'C22 H26 Cl2 N6 Ni O8'
_chemical_formula_weight         632.10
_chemical_name_systematic
;
Bis[3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]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                92.593(2)
_cell_angle_beta                 105.206(3)
_cell_angle_gamma                113.820(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5907(10)
_cell_length_b                   11.2776(17)
_cell_length_c                   14.2659(19)
_cell_measurement_reflns_used    3154
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.4
_cell_volume                     1342.0(3)
_computing_cell_refinement       'SMART (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Siemens 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  0.022
_diffrn_reflns_av_sigmaI/netI    0.048
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6957
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.0
_exptl_absorpt_coefficient_mu    0.980
_exptl_absorpt_correction_T_max  0.713
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.49
_exptl_crystal_size_min          0.37
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.41
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         4644
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.058
_refine_ls_R_factor_gt           0.040
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0567P)²+0.1899P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.097
_refine_ls_wR_factor_ref         0.107
_reflns_number_gt                3549
_reflns_number_total             4644
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk2215.cif
_cod_data_source_block           I
_cod_database_code               2217336
_cod_database_fobs_code          2217336
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 0.77264(5) 0.52387(4) 0.75140(3) 0.03203(14) Uani d . 1
Cl Cl1 0.55546(12) 0.91209(9) 0.67524(7) 0.0551(3) Uani d . 1
Cl Cl2 0.57607(13) 0.07074(9) 0.92174(8) 0.0640(3) Uani d . 1
N N1 0.7176(3) 0.6405(2) 0.66193(16) 0.0292(5) Uani d . 1
N N2 0.7517(3) 0.5219(2) 0.54309(17) 0.0337(6) Uani d . 1
N N3 0.7717(3) 0.4465(2) 0.61479(18) 0.0363(6) Uani d . 1
N N4 0.8219(3) 0.4031(2) 0.83869(17) 0.0313(6) Uani d . 1
N N5 1.0849(3) 0.5382(2) 0.86026(17) 0.0326(6) Uani d . 1
N N6 1.0248(3) 0.6181(2) 0.80948(18) 0.0337(6) Uani d . 1
O O1 0.7411(3) 0.6477(2) 0.84674(15) 0.0448(6) Uani d . 1
O O2 0.6899(3) 0.8231(3) 0.85594(17) 0.0582(7) Uani d . 1
O O3 0.5445(3) 0.3791(2) 0.73513(17) 0.0479(6) Uani d . 1
O O4 0.4125(3) 0.2055(3) 0.7966(2) 0.0870(10) Uani d . 1
O O5 0.1053(4) 0.1080(3) 0.6606(2) 0.0812(9) Uani d . 1
H H5A 0.2027 0.1390 0.6960 0.097 Uiso d R 1
H H5B 0.0472 0.0878 0.6985 0.097 Uiso d R 1
O O6 0.9476(4) 0.0534(4) 0.8033(2) 0.0994(11) Uani d . 1
H H6A 0.8799 -0.0101 0.8208 0.119 Uiso d R 1
H H6B 1.0368 0.0837 0.8488 0.119 Uiso d R 1
O O7 0.7637(4) 0.8418(4) 0.0580(2) 0.1187(15) Uani d . 1
H H7D 0.6933 0.8234 0.0877 0.142 Uiso d R 1
H H7E 0.7179 0.8303 -0.0036 0.142 Uiso d R 1
O O8 0.0584(6) 0.8775(5) 0.5293(3) 0.159(2) Uani d . 1
H H8A 0.0092 0.8812 0.4713 0.191 Uiso d R 1
H H8B 0.0733 0.9439 0.5682 0.191 Uiso d R 1
C C1 0.7039(4) 0.7344(3) 0.8106(2) 0.0371(7) Uani d . 1
C C2 0.6770(3) 0.7295(3) 0.6994(2) 0.0302(7) Uani d . 1
C C3 0.6215(4) 0.8021(3) 0.6372(2) 0.0359(7) Uani d . 1
C C4 0.6125(4) 0.7840(3) 0.5382(2) 0.0439(8) Uani d . 1
H H4 0.5775 0.8340 0.4964 0.053 Uiso calc R 1
C C5 0.6548(4) 0.6931(3) 0.5015(2) 0.0426(8) Uani d . 1
H H5 0.6478 0.6797 0.4353 0.051 Uiso calc R 1
C C6 0.7084(3) 0.6222(3) 0.5670(2) 0.0296(6) Uani d . 1
C C7 0.7597(5) 0.5369(4) 0.3668(2) 0.0557(10) Uani d . 1
H H7A 0.7964 0.4988 0.3225 0.083 Uiso calc R 1
H H7B 0.8259 0.6300 0.3843 0.083 Uiso calc R 1
H H7C 0.6508 0.5212 0.3351 0.083 Uiso calc R 1
C C8 0.7691(4) 0.4755(3) 0.4583(2) 0.0394(8) Uani d . 1
C C9 0.7988(4) 0.3697(3) 0.4775(2) 0.0455(8) Uani d . 1
H H9 0.8166 0.3174 0.4341 0.055 Uiso calc R 1
C C10 0.7979(4) 0.3533(3) 0.5734(2) 0.0396(8) Uani d . 1
C C11 0.8165(5) 0.2478(4) 0.6281(3) 0.0616(11) Uani d . 1
H H11A 0.9201 0.2833 0.6768 0.092 Uiso calc R 1
H H11B 0.8063 0.1771 0.5827 0.092 Uiso calc R 1
H H11C 0.7350 0.2153 0.6600 0.092 Uiso calc R 1
C C12 0.5349(4) 0.2929(4) 0.7887(2) 0.0465(9) Uani d . 1
C C13 0.6969(4) 0.2984(3) 0.8487(2) 0.0364(7) Uani d . 1
C C14 0.7263(4) 0.2110(3) 0.9064(2) 0.0399(8) Uani d . 1
C C15 0.8827(4) 0.2345(3) 0.9545(2) 0.0451(9) Uani d . 1
H H15 0.9027 0.1769 0.9947 0.054 Uiso calc R 1
C C16 1.0094(4) 0.3425(3) 0.9436(2) 0.0412(8) Uani d . 1
H H16 1.1150 0.3592 0.9755 0.049 Uiso calc R 1
C C17 0.9719(4) 0.4250(3) 0.8826(2) 0.0309(7) Uani d . 1
C C18 1.3525(4) 0.5291(4) 0.9329(3) 0.0599(11) Uani d . 1
H H18A 1.4596 0.5778 0.9307 0.090 Uiso calc R 1
H H18B 1.3108 0.4403 0.8998 0.090 Uiso calc R 1
H H18C 1.3534 0.5288 1.0004 0.090 Uiso calc R 1
C C19 1.2490(4) 0.5920(3) 0.8830(2) 0.0378(7) Uani d . 1
C C20 1.2925(4) 0.7063(3) 0.8466(2) 0.0428(8) Uani d . 1
H H20 1.3962 0.7644 0.8502 0.051 Uiso calc R 1
C C21 1.1525(4) 0.7206(3) 0.8024(2) 0.0362(7) Uani d . 1
C C22 1.1358(4) 0.8304(3) 0.7544(3) 0.0535(9) Uani d . 1
H H22A 1.0583 0.7956 0.6901 0.080 Uiso calc R 1
H H22B 1.2373 0.8890 0.7483 0.080 Uiso calc R 1
H H22C 1.1010 0.8774 0.7937 0.080 Uiso calc R 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'
Cl Cl 0.1484 0.1585 '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
N4 Ni1 N1 178.42(10) y
N4 Ni1 O1 101.86(9) y
N1 Ni1 O1 78.75(9) y
N4 Ni1 O3 78.49(9) y
N1 Ni1 O3 100.08(9) y
O1 Ni1 O3 90.29(10) y
N4 Ni1 N3 102.51(10) y
N1 Ni1 N3 76.82(9) y
O1 Ni1 N3 155.49(9) y
O3 Ni1 N3 92.01(10) y
N4 Ni1 N6 76.94(10) y
N1 Ni1 N6 104.50(10) y
O1 Ni1 N6 93.55(10) y
O3 Ni1 N6 155.40(9) y
N3 Ni1 N6 94.43(10) y
C6 N1 C2 121.9(2) ?
C6 N1 Ni1 120.58(19) ?
C2 N1 Ni1 117.24(18) ?
C8 N2 N3 110.6(2) ?
C8 N2 C6 132.8(3) ?
N3 N2 C6 116.5(2) ?
C10 N3 N2 105.6(2) ?
C10 N3 Ni1 141.3(2) ?
N2 N3 Ni1 112.77(17) ?
C17 N4 C13 122.1(3) ?
C17 N4 Ni1 120.6(2) ?
C13 N4 Ni1 117.3(2) ?
C19 N5 N6 110.6(2) ?
C19 N5 C17 133.0(2) ?
N6 N5 C17 116.4(2) ?
C21 N6 N5 105.4(2) ?
C21 N6 Ni1 141.8(2) ?
N5 N6 Ni1 111.64(18) ?
C1 O1 Ni1 116.31(19) ?
C12 O3 Ni1 116.7(2) ?
H5A O5 H5B 108.1 ?
H6A O6 H6B 108.5 ?
H7D O7 H7E 108.8 ?
H8A O8 H8B 108.4 ?
O2 C1 O1 126.6(3) ?
O2 C1 C2 117.7(3) ?
O1 C1 C2 115.7(3) ?
N1 C2 C3 119.0(3) ?
N1 C2 C1 111.5(2) ?
C3 C2 C1 129.4(3) ?
C2 C3 C4 119.3(3) ?
C2 C3 Cl1 123.1(2) ?
C4 C3 Cl1 117.5(2) ?
C5 C4 C3 120.8(3) ?
C5 C4 H4 119.6 ?
C3 C4 H4 119.6 ?
C4 C5 C6 117.4(3) ?
C4 C5 H5 121.3 ?
C6 C5 H5 121.3 ?
N1 C6 C5 121.5(3) ?
N1 C6 N2 112.5(2) ?
C5 C6 N2 126.0(3) ?
C8 C7 H7A 109.5 ?
C8 C7 H7B 109.5 ?
H7A C7 H7B 109.5 ?
C8 C7 H7C 109.5 ?
H7A C7 H7C 109.5 ?
H7B C7 H7C 109.5 ?
C9 C8 N2 105.6(3) ?
C9 C8 C7 129.8(3) ?
N2 C8 C7 124.6(3) ?
C8 C9 C10 108.0(3) ?
C8 C9 H9 126.0 ?
C10 C9 H9 126.0 ?
N3 C10 C9 110.1(3) ?
N3 C10 C11 120.7(3) ?
C9 C10 C11 129.2(3) ?
C10 C11 H11A 109.5 ?
C10 C11 H11B 109.5 ?
H11A C11 H11B 109.5 ?
C10 C11 H11C 109.5 ?
H11A C11 H11C 109.5 ?
H11B C11 H11C 109.5 ?
O4 C12 O3 127.2(3) ?
O4 C12 C13 118.0(3) ?
O3 C12 C13 114.8(3) ?
N4 C13 C14 118.9(3) ?
N4 C13 C12 112.3(3) ?
C14 C13 C12 128.7(3) ?
C13 C14 C15 119.4(3) ?
C13 C14 Cl2 123.2(3) ?
C15 C14 Cl2 117.4(2) ?
C16 C15 C14 120.8(3) ?
C16 C15 H15 119.6 ?
C14 C15 H15 119.6 ?
C15 C16 C17 116.9(3) ?
C15 C16 H16 121.5 ?
C17 C16 H16 121.5 ?
N4 C17 C16 121.8(3) ?
N4 C17 N5 113.0(2) ?
C16 C17 N5 125.2(3) ?
C19 C18 H18A 109.5 ?
C19 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C19 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C20 C19 N5 106.2(3) ?
C20 C19 C18 128.6(3) ?
N5 C19 C18 125.1(3) ?
C19 C20 C21 107.5(3) ?
C19 C20 H20 126.2 ?
C21 C20 H20 126.2 ?
N6 C21 C20 110.3(3) ?
N6 C21 C22 121.1(3) ?
C20 C21 C22 128.6(3) ?
C21 C22 H22A 109.5 ?
C21 C22 H22B 109.5 ?
H22A C22 H22B 109.5 ?
C21 C22 H22C 109.5 ?
H22A C22 H22C 109.5 ?
H22B C22 H22C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 N4 1.998(2) y
Ni1 N1 2.000(2) y
Ni1 O1 2.069(2) y
Ni1 O3 2.079(2) y
Ni1 N3 2.096(3) y
Ni1 N6 2.112(3) y
Cl1 C3 1.729(3) ?
Cl2 C14 1.726(3) ?
N1 C6 1.335(4) ?
N1 C2 1.349(4) ?
N2 C8 1.372(4) ?
N2 N3 1.384(3) ?
N2 C6 1.409(4) ?
N3 C10 1.323(4) ?
N4 C17 1.323(4) ?
N4 C13 1.347(4) ?
N5 C19 1.377(4) ?
N5 N6 1.389(3) ?
N5 C17 1.416(4) ?
N6 C21 1.333(4) ?
O1 C1 1.256(4) ?
O2 C1 1.238(4) ?
O3 C12 1.253(4) ?
O4 C12 1.228(4) ?
O5 H5A 0.8500 ?
O5 H5B 0.8500 ?
O6 H6A 0.8499 ?
O6 H6B 0.8500 ?
O7 H7D 0.8500 ?
O7 H7E 0.8499 ?
O8 H8A 0.8500 ?
O8 H8B 0.8500 ?
C1 C2 1.535(4) ?
C2 C3 1.382(4) ?
C3 C4 1.393(4) ?
C4 C5 1.374(4) ?
C4 H4 0.9300 ?
C5 C6 1.387(4) ?
C5 H5 0.9300 ?
C7 C8 1.505(5) ?
C7 H7A 0.9600 ?
C7 H7B 0.9600 ?
C7 H7C 0.9600 ?
C8 C9 1.358(5) ?
C9 C10 1.390(5) ?
C9 H9 0.9300 ?
C10 C11 1.497(4) ?
C11 H11A 0.9600 ?
C11 H11B 0.9600 ?
C11 H11C 0.9600 ?
C12 C13 1.539(4) ?
C13 C14 1.381(4) ?
C14 C15 1.383(5) ?
C15 C16 1.380(5) ?
C15 H15 0.9300 ?
C16 C17 1.389(4) ?
C16 H16 0.9300 ?
C18 C19 1.496(4) ?
C18 H18A 0.9600 ?
C18 H18B 0.9600 ?
C18 H18C 0.9600 ?
C19 C20 1.359(5) ?
C20 C21 1.402(4) ?
C20 H20 0.9300 ?
C21 C22 1.486(4) ?
C22 H22A 0.9600 ?
C22 H22B 0.9600 ?
C22 H22C 0.9600 ?
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
O5 H5A O4 . 0.85 1.96 2.800(4) 170
O5 H5B O6 1_455 0.85 1.95 2.790(4) 170
O6 H6A O2 1_545 0.85 2.21 3.063(5) 176
O6 H6B O7 2_766 0.85 1.84 2.693(4) 176
O7 H7D O4 2_666 0.85 2.13 2.942(4) 161
O7 H7E O2 1_554 0.85 1.94 2.758(4) 160
O8 H8A O5 2_566 0.85 1.95 2.802(5) 179
O8 H8B O5 1_565 0.85 2.09 2.939(5) 178
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
O1 Ni1 N1 C6 -179.1(2)
O3 Ni1 N1 C6 -90.8(2)
N3 Ni1 N1 C6 -1.1(2)
N6 Ni1 N1 C6 90.1(2)
O1 Ni1 N1 C2 -4.8(2)
O3 Ni1 N1 C2 83.5(2)
N3 Ni1 N1 C2 173.2(2)
N6 Ni1 N1 C2 -95.6(2)
C8 N2 N3 C10 -1.2(3)
C6 N2 N3 C10 174.8(3)
C8 N2 N3 Ni1 173.52(19)
C6 N2 N3 Ni1 -10.5(3)
N4 Ni1 N3 C10 -3.4(4)
N1 Ni1 N3 C10 178.0(4)
O1 Ni1 N3 C10 -177.2(3)
O3 Ni1 N3 C10 -82.1(4)
N6 Ni1 N3 C10 74.1(4)
N4 Ni1 N3 N2 -175.31(19)
N1 Ni1 N3 N2 6.15(19)
O1 Ni1 N3 N2 10.9(4)
O3 Ni1 N3 N2 106.0(2)
N6 Ni1 N3 N2 -97.7(2)
O1 Ni1 N4 C17 -96.3(2)
O3 Ni1 N4 C17 175.9(2)
N3 Ni1 N4 C17 86.3(2)
N6 Ni1 N4 C17 -5.4(2)
O1 Ni1 N4 C13 85.2(2)
O3 Ni1 N4 C13 -2.7(2)
N3 Ni1 N4 C13 -92.2(2)
N6 Ni1 N4 C13 176.1(2)
C19 N5 N6 C21 -0.6(3)
C17 N5 N6 C21 176.3(2)
C19 N5 N6 Ni1 169.89(19)
C17 N5 N6 Ni1 -13.2(3)
N4 Ni1 N6 C21 174.8(4)
N1 Ni1 N6 C21 -4.6(4)
O1 Ni1 N6 C21 -83.9(3)
O3 Ni1 N6 C21 177.6(3)
N3 Ni1 N6 C21 72.9(3)
N4 Ni1 N6 N5 9.66(17)
N1 Ni1 N6 N5 -169.68(17)
O1 Ni1 N6 N5 111.03(18)
O3 Ni1 N6 N5 12.5(3)
N3 Ni1 N6 N5 -92.17(18)
N4 Ni1 O1 C1 -178.3(2)
N1 Ni1 O1 C1 0.2(2)
O3 Ni1 O1 C1 -100.0(2)
N3 Ni1 O1 C1 -4.5(4)
N6 Ni1 O1 C1 104.3(2)
N4 Ni1 O3 C12 5.9(2)
N1 Ni1 O3 C12 -174.7(2)
O1 Ni1 O3 C12 -96.1(3)
N3 Ni1 O3 C12 108.3(3)
N6 Ni1 O3 C12 3.1(4)
Ni1 O1 C1 O2 -174.9(3)
Ni1 O1 C1 C2 3.8(4)
C6 N1 C2 C3 1.2(4)
Ni1 N1 C2 C3 -173.1(2)
C6 N1 C2 C1 -178.0(3)
Ni1 N1 C2 C1 7.7(3)
O2 C1 C2 N1 171.3(3)
O1 C1 C2 N1 -7.5(4)
O2 C1 C2 C3 -7.8(5)
O1 C1 C2 C3 173.4(3)
N1 C2 C3 C4 -1.5(5)
C1 C2 C3 C4 177.6(3)
N1 C2 C3 Cl1 176.3(2)
C1 C2 C3 Cl1 -4.7(5)
C2 C3 C4 C5 1.4(5)
Cl1 C3 C4 C5 -176.5(3)
C3 C4 C5 C6 -0.8(5)
C2 N1 C6 C5 -0.7(4)
Ni1 N1 C6 C5 173.4(2)
C2 N1 C6 N2 -178.1(3)
Ni1 N1 C6 N2 -4.1(3)
C4 C5 C6 N1 0.5(5)
C4 C5 C6 N2 177.6(3)
C8 N2 C6 N1 -175.5(3)
N3 N2 C6 N1 9.6(4)
C8 N2 C6 C5 7.2(5)
N3 N2 C6 C5 -167.7(3)
N3 N2 C8 C9 0.5(3)
C6 N2 C8 C9 -174.6(3)
N3 N2 C8 C7 -178.1(3)
C6 N2 C8 C7 6.8(5)
N2 C8 C9 C10 0.4(4)
C7 C8 C9 C10 178.9(3)
N2 N3 C10 C9 1.4(4)
Ni1 N3 C10 C9 -170.8(3)
N2 N3 C10 C11 -176.7(3)
Ni1 N3 C10 C11 11.1(6)
C8 C9 C10 N3 -1.2(4)
C8 C9 C10 C11 176.7(4)
Ni1 O3 C12 O4 173.8(3)
Ni1 O3 C12 C13 -7.6(4)
C17 N4 C13 C14 -0.1(4)
Ni1 N4 C13 C14 178.4(2)
C17 N4 C13 C12 -178.7(3)
Ni1 N4 C13 C12 -0.2(3)
O4 C12 C13 N4 -176.0(3)
O3 C12 C13 N4 5.2(4)
O4 C12 C13 C14 5.6(6)
O3 C12 C13 C14 -173.2(3)
N4 C13 C14 C15 1.6(4)
C12 C13 C14 C15 179.9(3)
N4 C13 C14 Cl2 -178.0(2)
C12 C13 C14 Cl2 0.3(5)
C13 C14 C15 C16 -1.6(5)
Cl2 C14 C15 C16 178.1(2)
C14 C15 C16 C17 0.0(5)
C13 N4 C17 C16 -1.5(4)
Ni1 N4 C17 C16 -179.9(2)
C13 N4 C17 N5 178.3(2)
Ni1 N4 C17 N5 -0.2(3)
C15 C16 C17 N4 1.5(5)
C15 C16 C17 N5 -178.3(3)
C19 N5 C17 N4 -174.7(3)
N6 N5 C17 N4 9.2(4)
C19 N5 C17 C16 5.0(5)
N6 N5 C17 C16 -171.0(3)
N6 N5 C19 C20 0.1(3)
C17 N5 C19 C20 -176.1(3)
N6 N5 C19 C18 -176.8(3)
C17 N5 C19 C18 7.0(5)
N5 C19 C20 C21 0.4(4)
C18 C19 C20 C21 177.1(3)
N5 N6 C21 C20 0.9(3)
Ni1 N6 C21 C20 -164.8(3)
N5 N6 C21 C22 -178.3(3)
Ni1 N6 C21 C22 16.1(5)
C19 C20 C21 N6 -0.8(4)
C19 C20 C21 C22 178.3(3)
