#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:26:42 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180079 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/25/7052545.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_7052545
loop_
_publ_author_name
'Yu, Jiangang'
'Hu, Xinquan'
'Zeng, Yanning'
'Zhang, Liping'
'Ni, Caihua'
'Hao, Xiang'
'Sun, Wen-Hua'
_publ_section_title
;
 Synthesis, characterisation and ethylene oligomerization behaviour of
 N-(2-substituted-5,6,7-trihydroquinolin-8-ylidene)arylaminonickel
 dichlorides
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              178
_journal_paper_doi               10.1039/c0nj00516a
_journal_volume                  35
_journal_year                    2011
_chemical_formula_sum            'C26 H28 Cl2 N2 Ni'
_chemical_formula_weight         498.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.20(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.488(6)
_cell_length_b                   10.033(2)
_cell_length_c                   15.549(3)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.13
_cell_volume                     4801.3(17)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0755
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27177
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.13
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  0.9050
_exptl_absorpt_correction_T_min  0.8234
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.400
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.377
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4466
_refine_ls_number_restraints     142
_refine_ls_restrained_S_all      1.370
_refine_ls_R_factor_gt           0.0908
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0256P)²+21.5548P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1570
_refine_ls_wR_factor_ref         0.1591
_reflns_number_gt                4286
_reflns_number_total             4466
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0NJ00516A.TXT
_cod_data_source_block           Ni10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4801.2(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7052545
#BEGIN Tags that were not found in dictionaries:
_refine_ls_r_factor_ref          0.0959
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.16486(2) 0.79187(7) 0.10079(4) 0.0399(2) Uani 1 1 d . . .
Cl1 Cl 0.16682(5) 0.76403(16) 0.24301(9) 0.0556(4) Uani 1 1 d . . .
N1 N 0.19692(15) 0.6266(4) 0.0764(3) 0.0424(11) Uani 1 1 d . . .
C1 C 0.2379(2) 0.5905(6) 0.1130(4) 0.0522(16) Uani 1 1 d . . .
N2 N 0.11448(15) 0.6962(5) 0.0246(3) 0.0445(11) Uani 1 1 d . A .
Cl2 Cl 0.16879(5) 0.98298(16) 0.03368(11) 0.0608(4) Uani 1 1 d . . .
C2 C 0.2510(2) 0.4574(7) 0.1040(4) 0.0643(19) Uani 1 1 d . . .
H2A H 0.2796 0.4297 0.1308 0.077 Uiso 1 1 calc R . .
C3 C 0.2222(3) 0.3682(7) 0.0563(5) 0.067(2) Uani 1 1 d . A .
H3A H 0.2310 0.2784 0.0518 0.081 Uiso 1 1 calc R . .
C4 C 0.1807(2) 0.4061(6) 0.0147(4) 0.0580(17) Uani 1 1 d D . .
C5 C 0.1696(2) 0.5363(5) 0.0281(3) 0.0474(14) Uani 1 1 d . A .
C6 C 0.1453(4) 0.3182(12) -0.0402(9) 0.052(3) Uani 0.647(12) 1 d PDU A 1
H6A H 0.1597 0.2506 -0.0707 0.063 Uiso 0.647(12) 1 calc PR A 1
H6B H 0.1306 0.2698 0.0009 0.063 Uiso 0.647(12) 1 calc PR A 1
C7 C 0.1104(3) 0.3862(10) -0.1089(7) 0.052(2) Uani 0.647(12) 1 d PDU A 1
H7A H 0.0885 0.3203 -0.1376 0.063 Uiso 0.647(12) 1 calc PR A 1
H7B H 0.1235 0.4286 -0.1545 0.063 Uiso 0.647(12) 1 calc PR A 1
C8 C 0.0888(4) 0.4929(13) -0.0601(7) 0.049(2) Uani 0.647(12) 1 d PDU A 1
H8A H 0.0719 0.4488 -0.0211 0.059 Uiso 0.647(12) 1 calc PR A 1
H8B H 0.0685 0.5478 -0.1033 0.059 Uiso 0.647(12) 1 calc PR A 1
C6' C 0.1569(7) 0.299(2) -0.0453(19) 0.053(4) Uani 0.353(12) 1 d PDU A 2
H6'A H 0.1654 0.2971 -0.1031 0.063 Uiso 0.353(12) 1 calc PR A 2
H6'B H 0.1603 0.2099 -0.0180 0.063 Uiso 0.353(12) 1 calc PR A 2
C7' C 0.1124(6) 0.3556(13) -0.0511(14) 0.054(3) Uani 0.353(12) 1 d PDU A 2
H7'A H 0.0920 0.3013 -0.0944 0.064 Uiso 0.353(12) 1 calc PR A 2
H7'B H 0.1047 0.3418 0.0068 0.064 Uiso 0.353(12) 1 calc PR A 2
C8' C 0.1040(7) 0.496(2) -0.0752(15) 0.052(3) Uani 0.353(12) 1 d PU A 2
H8'A H 0.1153 0.5165 -0.1286 0.062 Uiso 0.353(12) 1 calc PR A 2
H8'B H 0.0723 0.5128 -0.0888 0.062 Uiso 0.353(12) 1 calc PR A 2
C9 C 0.1247(2) 0.5839(6) -0.0042(3) 0.0479(14) Uani 1 1 d . . .
C10 C 0.07075(18) 0.7458(6) -0.0028(4) 0.0457(14) Uani 1 1 d . . .
C11 C 0.05792(19) 0.8122(6) -0.0831(4) 0.0487(14) Uani 1 1 d . A .
C12 C 0.0154(2) 0.8586(6) -0.1055(4) 0.0562(16) Uani 1 1 d . . .
H12A H 0.0061 0.9022 -0.1605 0.067 Uiso 1 1 calc R A .
C13 C -0.01425(19) 0.8439(6) -0.0511(4) 0.0537(15) Uani 1 1 d . A .
C14 C 0.00007(19) 0.7796(6) 0.0292(4) 0.0559(16) Uani 1 1 d . . .
H14A H -0.0195 0.7692 0.0676 0.067 Uiso 1 1 calc R A .
C15 C 0.04220(19) 0.7300(6) 0.0551(4) 0.0534(15) Uani 1 1 d . A .
C16 C 0.0885(2) 0.8344(7) -0.1459(4) 0.0583(17) Uani 1 1 d . . .
H16A H 0.1181 0.8056 -0.1165 0.070 Uiso 1 1 calc R A .
H16B H 0.0790 0.7772 -0.1983 0.070 Uiso 1 1 calc R . .
C17 C 0.0906(2) 0.9779(7) -0.1760(4) 0.0657(18) Uani 1 1 d . A .
H17A H 0.1109 0.9844 -0.2156 0.099 Uiso 1 1 calc R . .
H17B H 0.1006 1.0352 -0.1246 0.099 Uiso 1 1 calc R . .
H17C H 0.0617 1.0066 -0.2070 0.099 Uiso 1 1 calc R . .
C18 C 0.0550(5) 0.6673(9) 0.1443(11) 0.061(3) Uani 0.817(11) 1 d PDU A 1
H18A H 0.0401 0.7150 0.1852 0.073 Uiso 0.817(11) 1 calc PR A 1
H18B H 0.0867 0.6790 0.1660 0.073 Uiso 0.817(11) 1 calc PR A 1
C19 C 0.0444(4) 0.5208(9) 0.1462(7) 0.098(4) Uani 0.817(11) 1 d PDU A 1
H19A H 0.0538 0.4869 0.2063 0.147 Uiso 0.817(11) 1 calc PR A 1
H19B H 0.0594 0.4722 0.1068 0.147 Uiso 0.817(11) 1 calc PR A 1
H19C H 0.0129 0.5082 0.1267 0.147 Uiso 0.817(11) 1 calc PR A 1
C18' C 0.060(3) 0.627(7) 0.138(6) 0.068(6) Uani 0.183(11) 1 d PU A 2
H18C H 0.0891 0.6523 0.1706 0.082 Uiso 0.183(11) 1 calc PR A 2
H18D H 0.0606 0.5338 0.1165 0.082 Uiso 0.183(11) 1 calc PR A 2
C19' C 0.0222(10) 0.645(4) 0.200(2) 0.076(8) Uani 0.183(11) 1 d PDU A 2
H19D H 0.0325 0.6016 0.2571 0.114 Uiso 0.183(11) 1 calc PR A 2
H19E H -0.0052 0.6041 0.1701 0.114 Uiso 0.183(11) 1 calc PR A 2
H19F H 0.0175 0.7402 0.2092 0.114 Uiso 0.183(11) 1 calc PR A 2
C20 C -0.05966(19) 0.8972(7) -0.0783(5) 0.0692(19) Uani 1 1 d . . .
H20A H -0.0634 0.9383 -0.1366 0.104 Uiso 1 1 calc R A .
H20B H -0.0647 0.9641 -0.0356 0.104 Uiso 1 1 calc R . .
H20C H -0.0805 0.8241 -0.0805 0.104 Uiso 1 1 calc R . .
C21 C 0.26774(19) 0.6918(7) 0.1614(4) 0.0522(16) Uani 1 1 d . . .
C22 C 0.2979(2) 0.6561(8) 0.2369(4) 0.0629(18) Uani 1 1 d . . .
H22A H 0.2991 0.5665 0.2571 0.075 Uiso 1 1 calc R . .
C23 C 0.3259(2) 0.7490(8) 0.2824(4) 0.069(2) Uani 1 1 d . . .
H23A H 0.3464 0.7229 0.3336 0.083 Uiso 1 1 calc R . .
C24 C 0.3246(2) 0.8801(8) 0.2548(4) 0.0628(18) Uani 1 1 d . . .
H24A H 0.3440 0.9440 0.2867 0.075 Uiso 1 1 calc R . .
C25 C 0.29443(19) 0.9170(7) 0.1794(4) 0.0587(17) Uani 1 1 d . . .
H25A H 0.2928 1.0070 0.1601 0.070 Uiso 1 1 calc R . .
C26 C 0.26689(19) 0.8229(7) 0.1329(4) 0.0525(16) Uani 1 1 d . . .
H26A H 0.2471 0.8483 0.0806 0.063 Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ni1 N1 82.01(19) . . ?
N2 Ni1 Cl2 104.65(14) . . ?
N1 Ni1 Cl2 123.14(13) . . ?
N2 Ni1 Cl1 112.31(14) . . ?
N1 Ni1 Cl1 100.04(13) . . ?
Cl2 Ni1 Cl1 126.21(7) . . ?
C1 N1 C5 119.5(5) . . ?
C1 N1 Ni1 127.9(4) . . ?
C5 N1 Ni1 111.6(4) . . ?
N1 C1 C2 119.2(6) . . ?
N1 C1 C21 118.7(5) . . ?
C2 C1 C21 122.1(6) . . ?
C9 N2 C10 119.8(5) . . ?
C9 N2 Ni1 113.6(4) . . ?
C10 N2 Ni1 126.5(4) . . ?
C3 C2 C1 119.7(6) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C2 C3 C4 121.6(6) . . ?
C2 C3 H3A 119.2 . . ?
C4 C3 H3A 119.2 . . ?
C5 C4 C3 115.7(7) . . ?
C5 C4 C6' 131.0(12) . . ?
C3 C4 C6' 113.0(11) . . ?
C5 C4 C6 116.8(7) . . ?
C3 C4 C6 127.4(7) . . ?
C6' C4 C6 16.4(11) . . ?
N1 C5 C4 124.3(6) . . ?
N1 C5 C9 114.9(5) . . ?
C4 C5 C9 120.7(6) . . ?
C7 C6 C4 117.7(10) . . ?
C7 C6 H6A 107.9 . . ?
C4 C6 H6A 107.9 . . ?
C7 C6 H6B 107.9 . . ?
C4 C6 H6B 107.9 . . ?
H6A C6 H6B 107.2 . . ?
C6 C7 C8 107.0(8) . . ?
C6 C7 H7A 110.3 . . ?
C8 C7 H7A 110.3 . . ?
C6 C7 H7B 110.3 . . ?
C8 C7 H7B 110.3 . . ?
H7A C7 H7B 108.6 . . ?
C7 C8 C9 109.5(8) . . ?
C7 C8 H8A 109.8 . . ?
C9 C8 H8A 109.8 . . ?
C7 C8 H8B 109.8 . . ?
C9 C8 H8B 109.8 . . ?
H8A C8 H8B 108.2 . . ?
C7' C6' C4 96.1(14) . . ?
C7' C6' H6'A 112.5 . . ?
C4 C6' H6'A 112.5 . . ?
C7' C6' H6'B 112.5 . . ?
C4 C6' H6'B 112.5 . . ?
H6'A C6' H6'B 110.0 . . ?
C8' C7' C6' 120(2) . . ?
C8' C7' H7'A 107.4 . . ?
C6' C7' H7'A 107.4 . . ?
C8' C7' H7'B 107.4 . . ?
C6' C7' H7'B 107.4 . . ?
H7'A C7' H7'B 107.0 . . ?
C9 C8' C7' 111.1(17) . . ?
C9 C8' H8'A 109.4 . . ?
C7' C8' H8'A 109.4 . . ?
C9 C8' H8'B 109.4 . . ?
C7' C8' H8'B 109.4 . . ?
H8'A C8' H8'B 108.0 . . ?
N2 C9 C8' 133.8(11) . . ?
N2 C9 C5 117.4(5) . . ?
C8' C9 C5 107.9(10) . . ?
N2 C9 C8 120.1(7) . . ?
C8' C9 C8 21.7(9) . . ?
C5 C9 C8 121.9(6) . . ?
C11 C10 C15 121.4(5) . . ?
C11 C10 N2 120.4(5) . . ?
C15 C10 N2 118.1(5) . . ?
C12 C11 C10 117.7(6) . . ?
C12 C11 C16 119.7(5) . . ?
C10 C11 C16 122.6(5) . . ?
C11 C12 C13 123.0(6) . . ?
C11 C12 H12A 118.5 . . ?
C13 C12 H12A 118.5 . . ?
C14 C13 C12 117.5(6) . . ?
C14 C13 C20 121.8(6) . . ?
C12 C13 C20 120.7(6) . . ?
C13 C14 C15 122.2(6) . . ?
C13 C14 H14A 118.9 . . ?
C15 C14 H14A 118.9 . . ?
C14 C15 C10 118.1(6) . . ?
C14 C15 C18 118.1(7) . . ?
C10 C15 C18 123.7(7) . . ?
C14 C15 C18' 126(3) . . ?
C10 C15 C18' 114(3) . . ?
C18 C15 C18' 16(3) . . ?
C17 C16 C11 114.2(5) . . ?
C17 C16 H16A 108.7 . . ?
C11 C16 H16A 108.7 . . ?
C17 C16 H16B 108.7 . . ?
C11 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 C19 114.2(10) . . ?
C15 C18 H18A 108.7 . . ?
C19 C18 H18A 108.7 . . ?
C15 C18 H18B 108.7 . . ?
C19 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C18' C19' 103(4) . . ?
C15 C18' H18C 111.3 . . ?
C19' C18' H18C 111.3 . . ?
C15 C18' H18D 111.3 . . ?
C19' C18' H18D 111.3 . . ?
H18C C18' H18D 109.2 . . ?
C18' C19' H19D 109.4 . . ?
C18' C19' H19E 109.5 . . ?
H19D C19' H19E 109.5 . . ?
C18' C19' H19F 109.5 . . ?
H19D C19' H19F 109.5 . . ?
H19E C19' H19F 109.5 . . ?
C13 C20 H20A 109.5 . . ?
C13 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C13 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 118.5(7) . . ?
C26 C21 C1 121.5(5) . . ?
C22 C21 C1 120.0(6) . . ?
C23 C22 C21 120.6(7) . . ?
C23 C22 H22A 119.7 . . ?
C21 C22 H22A 119.7 . . ?
C22 C23 C24 120.9(6) . . ?
C22 C23 H23A 119.6 . . ?
C24 C23 H23A 119.6 . . ?
C23 C24 C25 119.0(7) . . ?
C23 C24 H24A 120.5 . . ?
C25 C24 H24A 120.5 . . ?
C26 C25 C24 120.0(7) . . ?
C26 C25 H25A 120.0 . . ?
C24 C25 H25A 120.0 . . ?
C25 C26 C21 120.9(6) . . ?
C25 C26 H26A 119.5 . . ?
C21 C26 H26A 119.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 N2 2.011(5) . ?
Ni1 N1 2.019(4) . ?
Ni1 Cl2 2.1990(17) . ?
Ni1 Cl1 2.2168(16) . ?
N1 C1 1.344(7) . ?
N1 C5 1.361(7) . ?
C1 C2 1.414(9) . ?
C1 C21 1.479(9) . ?
N2 C9 1.280(7) . ?
N2 C10 1.441(7) . ?
C2 C3 1.374(10) . ?
C2 H2A 0.9500 . ?
C3 C4 1.383(9) . ?
C3 H3A 0.9500 . ?
C4 C5 1.380(8) . ?
C4 C6' 1.511(12) . ?
C4 C6 1.533(10) . ?
C5 C9 1.475(8) . ?
C6 C7 1.522(16) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.550(14) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.567(13) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C6' C7' 1.50(3) . ?
C6' H6'A 0.9900 . ?
C6' H6'B 0.9900 . ?
C7' C8' 1.47(3) . ?
C7' H7'A 0.9900 . ?
C7' H7'B 0.9900 . ?
C8' C9 1.45(2) . ?
C8' H8'A 0.9900 . ?
C8' H8'B 0.9900 . ?
C10 C11 1.397(8) . ?
C10 C15 1.410(8) . ?
C11 C12 1.392(8) . ?
C11 C16 1.526(8) . ?
C12 C13 1.393(8) . ?
C12 H12A 0.9500 . ?
C13 C14 1.393(8) . ?
C13 C20 1.502(8) . ?
C14 C15 1.394(8) . ?
C14 H14A 0.9500 . ?
C15 C18 1.497(16) . ?
C15 C18' 1.65(8) . ?
C16 C17 1.520(9) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.509(9) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18' C19' 1.69(9) . ?
C18' H18C 0.9900 . ?
C18' H18D 0.9900 . ?
C19' H19D 0.9800 . ?
C19' H19E 0.9800 . ?
C19' H19F 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.387(8) . ?
C21 C22 1.391(8) . ?
C22 C23 1.372(10) . ?
C22 H22A 0.9500 . ?
C23 C24 1.381(10) . ?
C23 H23A 0.9500 . ?
C24 C25 1.393(8) . ?
C24 H24A 0.9500 . ?
C25 C26 1.379(9) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ni1 N1 C1 -171.6(5) . . . . ?
Cl2 Ni1 N1 C1 86.1(4) . . . . ?
Cl1 Ni1 N1 C1 -60.2(5) . . . . ?
N2 Ni1 N1 C5 -3.3(3) . . . . ?
Cl2 Ni1 N1 C5 -105.6(3) . . . . ?
Cl1 Ni1 N1 C5 108.1(3) . . . . ?
C5 N1 C1 C2 -3.0(7) . . . . ?
Ni1 N1 C1 C2 164.5(4) . . . . ?
C5 N1 C1 C21 176.9(5) . . . . ?
Ni1 N1 C1 C21 -15.6(7) . . . . ?
N1 Ni1 N2 C9 -1.2(4) . . . . ?
Cl2 Ni1 N2 C9 121.1(4) . . . . ?
Cl1 Ni1 N2 C9 -98.8(4) . . . . ?
N1 Ni1 N2 C10 -177.3(5) . . . . ?
Cl2 Ni1 N2 C10 -55.0(4) . . . . ?
Cl1 Ni1 N2 C10 85.1(4) . . . . ?
N1 C1 C2 C3 1.6(8) . . . . ?
C21 C1 C2 C3 -178.3(5) . . . . ?
C1 C2 C3 C4 1.6(9) . . . . ?
C2 C3 C4 C5 -3.3(9) . . . . ?
C2 C3 C4 C6' 171.1(15) . . . . ?
C2 C3 C4 C6 -179.8(9) . . . . ?
C1 N1 C5 C4 1.3(8) . . . . ?
Ni1 N1 C5 C4 -168.1(5) . . . . ?
C1 N1 C5 C9 176.3(5) . . . . ?
Ni1 N1 C5 C9 6.8(5) . . . . ?
C3 C4 C5 N1 1.9(8) . . . . ?
C6' C4 C5 N1 -171.2(17) . . . . ?
C6 C4 C5 N1 178.8(8) . . . . ?
C3 C4 C5 C9 -172.8(5) . . . . ?
C6' C4 C5 C9 14.1(19) . . . . ?
C6 C4 C5 C9 4.1(10) . . . . ?
C5 C4 C6 C7 28.1(14) . . . . ?
C3 C4 C6 C7 -155.4(8) . . . . ?
C6' C4 C6 C7 -124(7) . . . . ?
C4 C6 C7 C8 -56.9(14) . . . . ?
C6 C7 C8 C9 52.0(11) . . . . ?
C5 C4 C6' C7' -25(3) . . . . ?
C3 C4 C6' C7' 162.0(13) . . . . ?
C6 C4 C6' C7' 9(5) . . . . ?
C4 C6' C7' C8' 52(3) . . . . ?
C6' C7' C8' C9 -71(3) . . . . ?
C10 N2 C9 C8' 14.1(16) . . . . ?
Ni1 N2 C9 C8' -162.3(14) . . . . ?
C10 N2 C9 C5 -178.3(5) . . . . ?
Ni1 N2 C9 C5 5.3(6) . . . . ?
C10 N2 C9 C8 -7.1(9) . . . . ?
Ni1 N2 C9 C8 176.5(6) . . . . ?
C7' C8' C9 N2 -145.3(13) . . . . ?
C7' C8' C9 C5 46.2(19) . . . . ?
C7' C8' C9 C8 -88(4) . . . . ?
N1 C5 C9 N2 -8.4(7) . . . . ?
C4 C5 C9 N2 166.8(5) . . . . ?
N1 C5 C9 C8' 162.3(11) . . . . ?
C4 C5 C9 C8' -22.5(12) . . . . ?
N1 C5 C9 C8 -179.4(6) . . . . ?
C4 C5 C9 C8 -4.2(9) . . . . ?
C7 C8 C9 N2 163.5(7) . . . . ?
C7 C8 C9 C8' 28(3) . . . . ?
C7 C8 C9 C5 -25.7(11) . . . . ?
C9 N2 C10 C11 -82.5(7) . . . . ?
Ni1 N2 C10 C11 93.4(6) . . . . ?
C9 N2 C10 C15 100.0(6) . . . . ?
Ni1 N2 C10 C15 -84.1(6) . . . . ?
C15 C10 C11 C12 -2.1(9) . . . . ?
N2 C10 C11 C12 -179.5(5) . . . . ?
C15 C10 C11 C16 178.2(6) . . . . ?
N2 C10 C11 C16 0.8(9) . . . . ?
C10 C11 C12 C13 1.3(9) . . . . ?
C16 C11 C12 C13 -179.0(6) . . . . ?
C11 C12 C13 C14 0.0(10) . . . . ?
C11 C12 C13 C20 179.4(6) . . . . ?
C12 C13 C14 C15 -0.5(10) . . . . ?
C20 C13 C14 C15 -179.9(6) . . . . ?
C13 C14 C15 C10 -0.3(9) . . . . ?
C13 C14 C15 C18 177.6(7) . . . . ?
C13 C14 C15 C18' -167(3) . . . . ?
C11 C10 C15 C14 1.7(9) . . . . ?
N2 C10 C15 C14 179.1(5) . . . . ?
C11 C10 C15 C18 -176.1(7) . . . . ?
N2 C10 C15 C18 1.3(10) . . . . ?
C11 C10 C15 C18' 170(3) . . . . ?
N2 C10 C15 C18' -13(3) . . . . ?
C12 C11 C16 C17 51.4(8) . . . . ?
C10 C11 C16 C17 -128.9(6) . . . . ?
C14 C15 C18 C19 87.0(11) . . . . ?
C10 C15 C18 C19 -95.2(12) . . . . ?
C18' C15 C18 C19 -38(11) . . . . ?
C14 C15 C18' C19' -20(6) . . . . ?
C10 C15 C18' C19' 173(3) . . . . ?
C18 C15 C18' C19' 43(9) . . . . ?
N1 C1 C21 C26 -37.4(8) . . . . ?
C2 C1 C21 C26 142.5(6) . . . . ?
N1 C1 C21 C22 143.3(5) . . . . ?
C2 C1 C21 C22 -36.8(8) . . . . ?
C26 C21 C22 C23 0.6(9) . . . . ?
C1 C21 C22 C23 179.9(5) . . . . ?
C21 C22 C23 C24 0.4(10) . . . . ?
C22 C23 C24 C25 -0.2(9) . . . . ?
C23 C24 C25 C26 -1.0(9) . . . . ?
C24 C25 C26 C21 2.0(9) . . . . ?
C22 C21 C26 C25 -1.8(8) . . . . ?
C1 C21 C26 C25 178.9(5) . . . . ?
