#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:49:24 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/41/7704101.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_7704101
loop_
_publ_author_name
'Khatua, Manas'
'Goswami, Bappaditya'
'Samanta, Subhas'
_publ_section_title
;
 Dehydrogenation of amines in aryl-amine functionalized pincer-like
 nitrogen-donor redox non-innocent ligands via ligand reduction on a
 Ni(ii) template.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6816
_journal_page_last               6831
_journal_paper_doi               10.1039/d0dt00466a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C23 H21 Cl2 N5 Ni'
_chemical_formula_sum            'C23 H21 Cl2 N5 Ni'
_chemical_formula_weight         497.04
_chemical_name_systematic        6
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2019-11-09
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-11-14 deposited with the CCDC.	2020-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.864(4)
_cell_angle_beta                 100.473(4)
_cell_angle_gamma                101.390(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1097(5)
_cell_length_b                   10.1284(5)
_cell_length_c                   12.2167(7)
_cell_measurement_reflns_used    4071
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.0420
_cell_measurement_theta_min      2.0390
_cell_volume                     1085.07(10)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 15.9160
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -58.00 -27.00   1.00   13.00    --  -27.14 -57.00   0.00   31
  2  ω    -57.00 -23.00   1.00   13.00    --  -27.14 -57.00-120.00   34
  3  ω    -11.00 116.00   1.00   13.00    --   28.55  77.00-150.00  127
  4  ω     51.00 126.00   1.00   13.00    --   28.55 178.00-180.00   75
  5  ω    -16.00 108.00   1.00   13.00    --   28.55  77.00 -30.00  124
  6  ω   -103.00 -30.00   1.00   13.00    --  -27.14 -57.00 120.00   73
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0166
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7174
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.05
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.162
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91173
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear reddish red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.324
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4441
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0212P)²+0.6156P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                4031
_reflns_number_total             4441
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt00466a2.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 7704099--7704110.cif.'
_cod_database_code               7704101
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12a,H12b)
2.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C17(H17), C10(H10), C14(H14), C15(H15), C8(H8), C19(H19), C16(H16),
 C23(H23), C9(H9), C1(H1), C2(H2), C5(H5), C4(H4a), C3(H3), C22(H22), C21(H21),
 C20(H20)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Ni1 Ni 0.39937(2) 0.28818(2) 0.673258(18) 0.01222(7) Uani 1 d . . .
Cl1 Cl 0.23838(5) 0.19689(5) 0.80007(4) 0.01871(10) Uani 1 d . . .
Cl2 Cl 0.57735(5) 0.34656(4) 0.54714(4) 0.01767(10) Uani 1 d . . .
N3 N 0.27067(17) 0.15803(14) 0.55526(12) 0.0130(3) Uani 1 d . . .
N1 N 0.48700(17) 0.10819(15) 0.69727(12) 0.0154(3) Uani 1 d . . .
N2 N 0.41628(17) 0.00413(15) 0.63723(13) 0.0169(3) Uani 1 d . . .
N4 N 0.24754(18) 0.41641(16) 0.58760(13) 0.0161(3) Uani 1 d . . .
N5 N 0.53712(17) 0.43004(16) 0.78837(13) 0.0182(3) Uani 1 d . . .
C7 C 0.3001(2) 0.03411(17) 0.55103(15) 0.0153(4) Uani 1 d . . .
C11 C 0.1647(2) 0.19426(18) 0.47909(15) 0.0148(4) Uani 1 d . . .
C18 C 0.2466(2) 0.62841(18) 0.68582(15) 0.0161(4) Uani 1 d . . .
H18 H 0.3319 0.6703 0.6553 0.019 Uiso 1 calc . . R
C13 C 0.1798(2) 0.49312(17) 0.65754(14) 0.0140(4) Uani 1 d . . .
C6 C 0.6016(2) 0.08687(18) 0.78797(15) 0.0153(4) Uani 1 d . . .
C17 C 0.1887(2) 0.70162(19) 0.75850(16) 0.0194(4) Uani 1 d . . .
H17 H 0.2351 0.7935 0.7780 0.023 Uiso 1 calc . . R
C10 C 0.0823(2) 0.10314(18) 0.39241(15) 0.0174(4) Uani 1 d . . .
H10 H 0.0062 0.1289 0.3378 0.021 Uiso 1 calc . . R
C14 C 0.0537(2) 0.43419(18) 0.70149(16) 0.0187(4) Uani 1 d . . .
H14 H 0.0066 0.3424 0.6821 0.022 Uiso 1 calc . . R
C15 C -0.0040(2) 0.50871(19) 0.77366(16) 0.0206(4) Uani 1 d . . .
H15 H -0.0907 0.4678 0.8031 0.025 Uiso 1 calc . . R
C8 C 0.2241(2) -0.06217(18) 0.46818(16) 0.0196(4) Uani 1 d . . .
H8 H 0.2465 -0.1498 0.4665 0.024 Uiso 1 calc . . R
C19 C 0.5917(2) 0.55393(19) 0.75598(17) 0.0213(4) Uani 1 d . . .
H19 H 0.5658 0.5726 0.6797 0.026 Uiso 1 calc . . R
C12 C 0.1393(2) 0.33569(18) 0.49304(16) 0.0202(4) Uani 1 d . . .
H12A H 0.1495 0.3823 0.4233 0.024 Uiso 1 calc . . R
H12B H 0.0338 0.3311 0.5050 0.024 Uiso 1 calc . . R
C16 C 0.0639(2) 0.64226(19) 0.80286(16) 0.0195(4) Uani 1 d . . .
H16 H 0.0252 0.6928 0.8530 0.023 Uiso 1 calc . . R
C23 C 0.5781(2) 0.4049(2) 0.89633(16) 0.0235(4) Uani 1 d . . .
H23 H 0.5402 0.3184 0.9208 0.028 Uiso 1 calc . . R
C9 C 0.1126(2) -0.02511(19) 0.38684(16) 0.0199(4) Uani 1 d . . .
H9 H 0.0578 -0.0879 0.3279 0.024 Uiso 1 calc . . R
C1 C 0.7382(2) 0.1805(2) 0.80622(16) 0.0220(4) Uani 1 d . . .
H1 H 0.7544 0.2523 0.7578 0.026 Uiso 1 calc . . R
C2 C 0.8509(2) 0.1678(2) 0.89648(17) 0.0276(5) Uani 1 d . . .
H2 H 0.9471 0.2282 0.9077 0.033 Uiso 1 calc . . R
C5 C 0.5738(2) -0.01594(19) 0.85963(17) 0.0236(4) Uani 1 d . . .
H5 H 0.4803 -0.0801 0.8458 0.028 Uiso 1 calc . . R
C4 C 0.6854(3) -0.0234(2) 0.95202(18) 0.0294(5) Uani 1 d . . .
H4A H 0.6667 -0.0914 1.0034 0.035 Uiso 1 calc . . R
C3 C 0.8232(2) 0.0674(2) 0.96986(17) 0.0267(5) Uani 1 d . . .
H3 H 0.8993 0.0608 1.0328 0.032 Uiso 1 calc . . R
C22 C 0.6737(2) 0.5008(3) 0.97312(18) 0.0328(5) Uani 1 d . . .
H22 H 0.7029 0.4790 1.0483 0.039 Uiso 1 calc . . R
C21 C 0.7258(2) 0.6275(2) 0.9395(2) 0.0344(6) Uani 1 d . . .
H21 H 0.7897 0.6950 0.9912 0.041 Uiso 1 calc . . R
C20 C 0.6839(2) 0.6549(2) 0.82931(19) 0.0295(5) Uani 1 d . . .
H20 H 0.7178 0.7420 0.8041 0.035 Uiso 1 calc . . R
H4 H 0.317(3) 0.472(2) 0.5568(19) 0.030(6) Uiso 1 d . . .
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'
Cl Cl 0.1484 0.1585 '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'
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
Cl1 Ni1 Cl2 170.676(18) . . ?
N3 Ni1 Cl1 89.20(4) . . ?
N3 Ni1 Cl2 87.87(4) . . ?
N3 Ni1 N1 75.33(6) . . ?
N3 Ni1 N4 79.74(6) . . ?
N3 Ni1 N5 176.62(6) . . ?
N1 Ni1 Cl1 84.53(4) . . ?
N1 Ni1 Cl2 86.16(4) . . ?
N1 Ni1 N4 155.04(6) . . ?
N4 Ni1 Cl1 96.53(4) . . ?
N4 Ni1 Cl2 91.66(4) . . ?
N5 Ni1 Cl1 93.94(5) . . ?
N5 Ni1 Cl2 89.21(5) . . ?
N5 Ni1 N1 106.18(6) . . ?
N5 Ni1 N4 98.64(6) . . ?
C7 N3 Ni1 117.63(12) . . ?
C11 N3 Ni1 121.31(12) . . ?
C11 N3 C7 120.95(15) . . ?
N2 N1 Ni1 117.62(12) . . ?
N2 N1 C6 115.70(15) . . ?
C6 N1 Ni1 125.67(11) . . ?
N1 N2 C7 111.86(14) . . ?
Ni1 N4 H4 98.2(15) . . ?
C13 N4 Ni1 116.63(11) . . ?
C13 N4 C12 115.23(15) . . ?
C13 N4 H4 110.1(15) . . ?
C12 N4 Ni1 108.97(11) . . ?
C12 N4 H4 105.8(15) . . ?
C19 N5 Ni1 119.56(13) . . ?
C23 N5 Ni1 122.81(14) . . ?
C23 N5 C19 117.63(17) . . ?
N3 C7 N2 116.92(15) . . ?
N3 C7 C8 122.61(16) . . ?
C8 C7 N2 120.47(16) . . ?
N3 C11 C10 120.21(16) . . ?
N3 C11 C12 116.47(15) . . ?
C10 C11 C12 123.32(16) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C13 120.00(17) . . ?
C18 C13 N4 119.16(16) . . ?
C14 C13 N4 121.59(16) . . ?
C14 C13 C18 119.19(16) . . ?
C1 C6 N1 116.71(16) . . ?
C5 C6 N1 121.70(17) . . ?
C5 C6 C1 121.39(17) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 C18 120.64(17) . . ?
C16 C17 H17 119.7 . . ?
C11 C10 H10 120.4 . . ?
C9 C10 C11 119.28(17) . . ?
C9 C10 H10 120.4 . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.33(17) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.34(18) . . ?
C16 C15 H15 119.8 . . ?
C7 C8 H8 121.5 . . ?
C7 C8 C9 117.07(17) . . ?
C9 C8 H8 121.5 . . ?
N5 C19 H19 118.7 . . ?
N5 C19 C20 122.7(2) . . ?
C20 C19 H19 118.7 . . ?
N4 C12 C11 113.34(15) . . ?
N4 C12 H12A 108.9 . . ?
N4 C12 H12B 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C17 C16 C15 119.50(17) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
N5 C23 H23 118.8 . . ?
N5 C23 C22 122.4(2) . . ?
C22 C23 H23 118.8 . . ?
C10 C9 C8 119.87(17) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C6 C1 H1 120.5 . . ?
C6 C1 C2 119.00(18) . . ?
C2 C1 H1 120.5 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.04(19) . . ?
C3 C2 H2 120.0 . . ?
C6 C5 H5 120.7 . . ?
C6 C5 C4 118.70(19) . . ?
C4 C5 H5 120.7 . . ?
C5 C4 H4A 119.7 . . ?
C3 C4 C5 120.50(19) . . ?
C3 C4 H4A 119.7 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.27(18) . . ?
C4 C3 H3 119.9 . . ?
C23 C22 H22 120.3 . . ?
C21 C22 C23 119.4(2) . . ?
C21 C22 H22 120.3 . . ?
C22 C21 H21 120.6 . . ?
C22 C21 C20 118.9(2) . . ?
C20 C21 H21 120.6 . . ?
C19 C20 H20 120.5 . . ?
C21 C20 C19 119.0(2) . . ?
C21 C20 H20 120.5 . . ?
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 Cl1 2.3957(5) . ?
Ni1 Cl2 2.4308(5) . ?
Ni1 N3 1.9769(15) . ?
Ni1 N1 2.1336(15) . ?
Ni1 N4 2.2179(15) . ?
Ni1 N5 2.0499(15) . ?
N3 C7 1.336(2) . ?
N3 C11 1.325(2) . ?
N1 N2 1.265(2) . ?
N1 C6 1.428(2) . ?
N2 C7 1.433(2) . ?
N4 C13 1.441(2) . ?
N4 C12 1.488(2) . ?
N4 H4 0.90(2) . ?
N5 C19 1.348(3) . ?
N5 C23 1.346(2) . ?
C7 C8 1.380(3) . ?
C11 C10 1.394(2) . ?
C11 C12 1.507(2) . ?
C18 H18 0.9500 . ?
C18 C13 1.396(2) . ?
C18 C17 1.386(3) . ?
C13 C14 1.388(3) . ?
C6 C1 1.387(3) . ?
C6 C5 1.385(3) . ?
C17 H17 0.9500 . ?
C17 C16 1.382(3) . ?
C10 H10 0.9500 . ?
C10 C9 1.383(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.389(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.384(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.398(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.383(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C16 H16 0.9500 . ?
C23 H23 0.9500 . ?
C23 C22 1.386(3) . ?
C9 H9 0.9500 . ?
C1 H1 0.9500 . ?
C1 C2 1.390(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.382(3) . ?
C5 H5 0.9500 . ?
C5 C4 1.388(3) . ?
C4 H4A 0.9500 . ?
C4 C3 1.381(3) . ?
C3 H3 0.9500 . ?
C22 H22 0.9500 . ?
C22 C21 1.374(3) . ?
C21 H21 0.9500 . ?
C21 C20 1.379(3) . ?
C20 H20 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
Ni1 N3 C7 N2 4.0(2) . . . . ?
Ni1 N3 C7 C8 -175.83(14) . . . . ?
Ni1 N3 C11 C10 175.74(13) . . . . ?
Ni1 N3 C11 C12 -4.9(2) . . . . ?
Ni1 N1 N2 C7 8.71(19) . . . . ?
Ni1 N1 C6 C1 -54.6(2) . . . . ?
Ni1 N1 C6 C5 120.46(17) . . . . ?
Ni1 N4 C13 C18 97.97(17) . . . . ?
Ni1 N4 C13 C14 -79.11(19) . . . . ?
Ni1 N4 C12 C11 -1.86(19) . . . . ?
Ni1 N5 C19 C20 179.31(14) . . . . ?
Ni1 N5 C23 C22 178.74(14) . . . . ?
Cl1 Ni1 N3 C7 -84.10(13) . . . . ?
Cl1 Ni1 N3 C11 99.66(13) . . . . ?
Cl1 Ni1 N1 N2 85.14(13) . . . . ?
Cl1 Ni1 N1 C6 -82.84(14) . . . . ?
Cl1 Ni1 N4 C13 44.29(13) . . . . ?
Cl1 Ni1 N4 C12 -88.28(12) . . . . ?
Cl1 Ni1 N5 C19 -142.33(13) . . . . ?
Cl1 Ni1 N5 C23 38.51(14) . . . . ?
Cl2 Ni1 N3 C7 87.04(13) . . . . ?
Cl2 Ni1 N3 C11 -89.19(13) . . . . ?
Cl2 Ni1 N1 N2 -94.27(13) . . . . ?
Cl2 Ni1 N1 C6 97.75(14) . . . . ?
Cl2 Ni1 N4 C13 -140.17(13) . . . . ?
Cl2 Ni1 N4 C12 87.26(12) . . . . ?
Cl2 Ni1 N5 C19 46.46(13) . . . . ?
Cl2 Ni1 N5 C23 -132.71(14) . . . . ?
N3 Ni1 N1 N2 -5.47(12) . . . . ?
N3 Ni1 N1 C6 -173.45(15) . . . . ?
N3 Ni1 N4 C13 132.29(14) . . . . ?
N3 Ni1 N4 C12 -0.28(12) . . . . ?
N3 Ni1 N5 C19 16.1(11) . . . . ?
N3 Ni1 N5 C23 -163.0(9) . . . . ?
N3 C7 C8 C9 0.0(3) . . . . ?
N3 C11 C10 C9 -0.1(3) . . . . ?
N3 C11 C12 N4 4.2(2) . . . . ?
N1 Ni1 N3 C7 0.45(13) . . . . ?
N1 Ni1 N3 C11 -175.78(15) . . . . ?
N1 Ni1 N4 C13 135.36(14) . . . . ?
N1 Ni1 N4 C12 2.8(2) . . . . ?
N1 Ni1 N5 C19 132.23(13) . . . . ?
N1 Ni1 N5 C23 -46.93(15) . . . . ?
N1 N2 C7 N3 -8.3(2) . . . . ?
N1 N2 C7 C8 171.46(16) . . . . ?
N1 C6 C1 C2 177.12(17) . . . . ?
N1 C6 C5 C4 -174.10(18) . . . . ?
N2 N1 C6 C1 137.24(17) . . . . ?
N2 N1 C6 C5 -47.7(2) . . . . ?
N2 C7 C8 C9 -179.79(17) . . . . ?
N4 Ni1 N3 C7 179.12(14) . . . . ?
N4 Ni1 N3 C11 2.88(13) . . . . ?
N4 Ni1 N1 N2 -8.6(2) . . . . ?
N4 Ni1 N1 C6 -176.57(14) . . . . ?
N4 Ni1 N5 C19 -45.10(14) . . . . ?
N4 Ni1 N5 C23 135.73(14) . . . . ?
N4 C13 C14 C15 176.38(17) . . . . ?
N5 Ni1 N3 C7 117.4(10) . . . . ?
N5 Ni1 N3 C11 -58.8(10) . . . . ?
N5 Ni1 N1 N2 177.67(12) . . . . ?
N5 Ni1 N1 C6 9.68(15) . . . . ?
N5 Ni1 N4 C13 -50.72(14) . . . . ?
N5 Ni1 N4 C12 176.71(12) . . . . ?
N5 C19 C20 C21 2.0(3) . . . . ?
N5 C23 C22 C21 1.8(3) . . . . ?
C7 N3 C11 C10 -0.4(3) . . . . ?
C7 N3 C11 C12 179.04(16) . . . . ?
C7 C8 C9 C10 -0.4(3) . . . . ?
C11 N3 C7 N2 -179.79(15) . . . . ?
C11 N3 C7 C8 0.4(3) . . . . ?
C11 C10 C9 C8 0.5(3) . . . . ?
C18 C13 C14 C15 -0.7(3) . . . . ?
C18 C17 C16 C15 -0.4(3) . . . . ?
C13 N4 C12 C11 -135.17(17) . . . . ?
C13 C18 C17 C16 -0.5(3) . . . . ?
C13 C14 C15 C16 -0.3(3) . . . . ?
C6 N1 N2 C7 177.89(15) . . . . ?
C6 C1 C2 C3 -3.4(3) . . . . ?
C6 C5 C4 C3 -2.1(3) . . . . ?
C17 C18 C13 N4 -176.05(16) . . . . ?
C17 C18 C13 C14 1.1(3) . . . . ?
C10 C11 C12 N4 -176.38(17) . . . . ?
C14 C15 C16 C17 0.8(3) . . . . ?
C19 N5 C23 C22 -0.4(3) . . . . ?
C12 N4 C13 C18 -132.37(17) . . . . ?
C12 N4 C13 C14 50.6(2) . . . . ?
C12 C11 C10 C9 -179.44(18) . . . . ?
C23 N5 C19 C20 -1.5(3) . . . . ?
C23 C22 C21 C20 -1.3(3) . . . . ?
C1 C6 C5 C4 0.7(3) . . . . ?
C1 C2 C3 C4 2.0(3) . . . . ?
C5 C6 C1 C2 2.1(3) . . . . ?
C5 C4 C3 C2 0.8(3) . . . . ?
C22 C21 C20 C19 -0.5(3) . . . . ?
