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#$Date: 2025-08-06 01:01:40 +0300 (Wed, 06 Aug 2025) $
#$Revision: 301594 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/89/7718971.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_7718971
loop_
_publ_author_name
'Baig, K. Mohamed Yusuf'
'Marimuthu, Sundaramoorthy'
'Maduraiveeran, Govindhan'
'Kole, Goutam Kumar'
_publ_section_title
;
 One-dimensional nickel(II) coordination polymers of
 9-anthracenyl-4'-benzoate and bispyridyl linkers as efficient
 electrocatalysts for hydrogen and oxygen evolution reactions.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11025
_journal_page_last               11035
_journal_paper_doi               10.1039/d5dt00760g
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C54 H40 N4 Ni O8'
_chemical_formula_weight         931.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-02-18 deposited with the CCDC.	2025-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.585(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4915(11)
_cell_length_b                   7.7578(9)
_cell_length_c                   31.300(3)
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.28
_cell_measurement_theta_min      2.65
_cell_volume                     2289.5(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Quest diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            48588
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         3.280
_exptl_absorpt_coefficient_mu    0.485
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5402
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SadAbs 2016/2 (Bruker AXS)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_description       Plate
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.204
_exptl_crystal_size_min          0.052
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         4044
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0579P)²+2.2266P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1389
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3671
_reflns_number_total             4044
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00760g2.cif
_cod_data_source_block           YB106F
_cod_depositor_comments
'Adding full bibliography for 7718970--7718972.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7718971
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.860
_shelx_estimated_absorpt_t_max   0.975
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 1.000000 0.000000 0.500000 0.02904(17) Uani 1 2 d S . P . .
N1 N 0.7860(3) 0.0070(3) 0.47132(8) 0.0376(6) Uani 1 1 d . . . . .
O1 O 0.9469(2) 0.1302(3) 0.55220(6) 0.0359(5) Uani 1 1 d . . . . .
C1 C 0.8804(3) 0.0768(4) 0.58216(9) 0.0330(6) Uani 1 1 d . . . . .
O3 O 1.0325(2) 0.2390(3) 0.47115(7) 0.0412(5) Uani 1 1 d D . . . .
H3B H 1.082(4) 0.334(4) 0.4854(12) 0.102(17) Uiso 1 1 d D . . . .
H3A H 1.084(3) 0.212(5) 0.4476(8) 0.081(14) Uiso 1 1 d D . . . .
C19 C 0.9337(5) 0.6923(7) 0.76752(16) 0.0875(15) Uani 1 1 d . . . . .
H19 H 1.023623 0.649203 0.776550 0.105 Uiso 1 1 calc R U . . .
C18 C 0.8764(6) 0.8209(8) 0.79152(17) 0.0947(17) Uani 1 1 d . . . . .
H18 H 0.927052 0.860712 0.816795 0.114 Uiso 1 1 calc R U . . .
C17 C 0.7476(6) 0.8873(6) 0.77803(15) 0.0849(15) Uani 1 1 d . . . . .
H17 H 0.712442 0.976699 0.793525 0.102 Uiso 1 1 calc R U . . .
C16 C 0.6639(5) 0.8233(5) 0.74041(12) 0.0608(10) Uani 1 1 d . . . . .
C15 C 0.5287(5) 0.8834(5) 0.72718(13) 0.0673(11) Uani 1 1 d . . . . .
H15 H 0.492501 0.973400 0.742234 0.081 Uiso 1 1 calc R U . . .
C14 C 0.4464(4) 0.8143(5) 0.69256(13) 0.0605(10) Uani 1 1 d . . . . .
C13 C 0.3030(6) 0.8683(7) 0.68002(17) 0.0868(15) Uani 1 1 d . . . . .
H13 H 0.265629 0.957601 0.695042 0.104 Uiso 1 1 calc R U . . .
C12 C 0.2215(6) 0.7946(8) 0.64754(19) 0.0931(17) Uani 1 1 d . . . . .
H12 H 0.128943 0.832928 0.640435 0.112 Uiso 1 1 calc R U . . .
C11 C 0.2748(5) 0.6572(7) 0.62352(14) 0.0810(14) Uani 1 1 d . . . . .
H11 H 0.216697 0.605737 0.601158 0.097 Uiso 1 1 calc R U . . .
C10 C 0.4110(4) 0.6016(5) 0.63345(12) 0.0599(10) Uani 1 1 d . . . . .
H10 H 0.445591 0.514048 0.617239 0.072 Uiso 1 1 calc R U . . .
C9 C 0.5013(4) 0.6755(4) 0.66826(10) 0.0475(8) Uani 1 1 d . . . . .
C8 C 0.6396(3) 0.6168(4) 0.68076(10) 0.0426(8) Uani 1 1 d . . . . .
C7 C 0.8362(4) 0.3885(4) 0.59902(10) 0.0469(8) Uani 1 1 d . . . . .
H7 H 0.886510 0.418322 0.576292 0.056 Uiso 1 1 calc R U . . .
C6 C 0.7780(4) 0.5169(4) 0.62209(11) 0.0516(9) Uani 1 1 d . . . . .
H6 H 0.789803 0.631991 0.614955 0.062 Uiso 1 1 calc R U . . .
C5 C 0.7014(3) 0.4740(4) 0.65608(10) 0.0409(7) Uani 1 1 d . . . . .
C4 C 0.6882(4) 0.3026(4) 0.66672(10) 0.0456(8) Uani 1 1 d . . . . .
H4 H 0.638880 0.272951 0.689670 0.055 Uiso 1 1 calc R U . . .
C3 C 0.7473(3) 0.1740(4) 0.64374(10) 0.0397(7) Uani 1 1 d . . . . .
H3 H 0.737645 0.059189 0.651449 0.048 Uiso 1 1 calc R U . . .
O2 O 0.8553(3) -0.0769(3) 0.59031(8) 0.0533(6) Uani 1 1 d . . . . .
O4 O 1.1652(4) 0.4858(4) 0.52360(14) 0.0947(11) Uani 1 1 d . . . . .
N2 N 0.5463(3) 0.4339(4) 0.49514(10) 0.0473(7) Uani 1 1 d . . . . .
C2 C 0.8210(3) 0.2155(4) 0.60920(9) 0.0329(6) Uani 1 1 d . . . . .
C27 C 0.4842(3) 0.3082(4) 0.47553(11) 0.0442(8) Uani 1 1 d . . . . .
H27 H 0.386155 0.310649 0.468810 0.053 Uiso 1 1 calc R U . . .
C26 C 0.7318(3) -0.1022(4) 0.44047(11) 0.0481(8) Uani 1 1 d . . . . .
H26 H 0.789067 -0.190105 0.431989 0.058 Uiso 1 1 calc R U . . .
C25 C 0.5946(4) -0.0892(5) 0.42085(13) 0.0585(10) Uani 1 1 d . . . . .
H25 H 0.559653 -0.169103 0.400165 0.070 Uiso 1 1 calc R U . . .
C24 C 0.5098(3) 0.0437(4) 0.43222(12) 0.0496(8) Uani 1 1 d . . . . .
H24 H 0.417222 0.055250 0.419118 0.060 Uiso 1 1 calc R U . . .
C23 C 0.5643(3) 0.1587(4) 0.46327(10) 0.0393(7) Uani 1 1 d . . . . .
C22 C 0.7025(3) 0.1331(4) 0.48228(10) 0.0370(7) Uani 1 1 d . . . . .
H22 H 0.738603 0.208529 0.503901 0.044 Uiso 1 1 calc R U . . .
C21 C 0.7218(4) 0.6882(5) 0.71672(11) 0.0502(9) Uani 1 1 d . . . . .
C20 C 0.8604(4) 0.6299(6) 0.73145(13) 0.0667(11) Uani 1 1 d . . . . .
H20 H 0.901931 0.546077 0.715741 0.080 Uiso 1 1 calc R U . . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ni1 O1 180.0 . 3_756 ?
O1 Ni1 O3 88.22(8) . . ?
O1 Ni1 O3 91.78(8) 3_756 . ?
O1 Ni1 O3 91.78(8) . 3_756 ?
O1 Ni1 O3 88.22(8) 3_756 3_756 ?
O3 Ni1 O3 180.0 . 3_756 ?
O1 Ni1 N1 90.80(9) . . ?
O1 Ni1 N1 89.20(9) 3_756 . ?
O3 Ni1 N1 88.63(9) . . ?
O3 Ni1 N1 91.37(9) 3_756 . ?
O1 Ni1 N1 89.20(9) . 3_756 ?
O1 Ni1 N1 90.80(9) 3_756 3_756 ?
O3 Ni1 N1 91.37(9) . 3_756 ?
O3 Ni1 N1 88.63(9) 3_756 3_756 ?
N1 Ni1 N1 180.00(12) . 3_756 ?
C22 N1 C26 117.4(3) . . ?
C22 N1 Ni1 118.6(2) . . ?
C26 N1 Ni1 123.8(2) . . ?
C1 O1 Ni1 128.78(19) . . ?
O2 C1 O1 126.2(3) . . ?
O2 C1 C2 118.1(2) . . ?
O1 C1 C2 115.6(3) . . ?
Ni1 O3 H3B 125(3) . . ?
Ni1 O3 H3A 105(2) . . ?
H3B O3 H3A 105.1(8) . . ?
C20 C19 C18 120.8(5) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C17 C18 C19 120.0(5) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C17 C16 121.5(4) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C15 C16 C21 119.4(4) . . ?
C15 C16 C17 122.6(4) . . ?
C21 C16 C17 118.1(4) . . ?
C14 C15 C16 122.0(3) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C15 C14 C13 122.6(4) . . ?
C15 C14 C9 120.0(4) . . ?
C13 C14 C9 117.4(4) . . ?
C12 C13 C14 122.1(4) . . ?
C12 C13 H13 118.9 . . ?
C14 C13 H13 118.9 . . ?
C13 C12 C11 120.8(4) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C10 C11 C12 119.9(5) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C10 C9 121.2(4) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C8 C9 C10 123.0(3) . . ?
C8 C9 C14 118.4(3) . . ?
C10 C9 C14 118.6(3) . . ?
C9 C8 C21 120.7(3) . . ?
C9 C8 C5 120.1(3) . . ?
C21 C8 C5 119.1(3) . . ?
C6 C7 C2 121.1(3) . . ?
C6 C7 H7 119.4 . . ?
C2 C7 H7 119.4 . . ?
C7 C6 C5 120.0(3) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C4 C5 C6 118.9(3) . . ?
C4 C5 C8 122.2(3) . . ?
C6 C5 C8 118.8(3) . . ?
C5 C4 C3 121.0(3) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C27 N2 N2 113.5(3) . 3_666 ?
C3 C2 C7 118.4(3) . . ?
C3 C2 C1 121.4(3) . . ?
C7 C2 C1 120.1(3) . . ?
N2 C27 C23 120.8(3) . . ?
N2 C27 H27 119.6 . . ?
C23 C27 H27 119.6 . . ?
N1 C26 C25 122.6(3) . . ?
N1 C26 H26 118.7 . . ?
C25 C26 H26 118.7 . . ?
C26 C25 C24 119.3(3) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C23 C24 C25 118.9(3) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C24 C23 C22 118.0(3) . . ?
C24 C23 C27 122.3(3) . . ?
C22 C23 C27 119.7(3) . . ?
N1 C22 C23 123.8(3) . . ?
N1 C22 H22 118.1 . . ?
C23 C22 H22 118.1 . . ?
C8 C21 C20 122.9(3) . . ?
C8 C21 C16 119.5(3) . . ?
C20 C21 C16 117.6(3) . . ?
C19 C20 C21 122.0(4) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
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 O1 2.0329(18) . ?
Ni1 O1 2.0329(18) 3_756 ?
Ni1 O3 2.100(2) . ?
Ni1 O3 2.100(2) 3_756 ?
Ni1 N1 2.126(2) . ?
Ni1 N1 2.126(2) 3_756 ?
N1 C22 1.328(4) . ?
N1 C26 1.342(4) . ?
O1 C1 1.259(3) . ?
C1 O2 1.248(4) . ?
C1 C2 1.517(4) . ?
O3 H3B 0.957(5) . ?
O3 H3A 0.954(5) . ?
C19 C20 1.346(6) . ?
C19 C18 1.396(7) . ?
C19 H19 0.9300 . ?
C18 C17 1.349(7) . ?
C18 H18 0.9300 . ?
C17 C16 1.432(6) . ?
C17 H17 0.9300 . ?
C16 C15 1.383(6) . ?
C16 C21 1.430(5) . ?
C15 C14 1.370(6) . ?
C15 H15 0.9300 . ?
C14 C13 1.436(6) . ?
C14 C9 1.449(5) . ?
C13 C12 1.333(7) . ?
C13 H13 0.9300 . ?
C12 C11 1.430(7) . ?
C12 H12 0.9300 . ?
C11 C10 1.364(6) . ?
C11 H11 0.9300 . ?
C10 C9 1.427(5) . ?
C10 H10 0.9300 . ?
C9 C8 1.403(5) . ?
C8 C21 1.407(5) . ?
C8 C5 1.507(4) . ?
C7 C6 1.383(4) . ?
C7 C2 1.391(4) . ?
C7 H7 0.9300 . ?
C6 C5 1.396(4) . ?
C6 H6 0.9300 . ?
C5 C4 1.380(4) . ?
C4 C3 1.386(4) . ?
C4 H4 0.9300 . ?
C3 C2 1.391(4) . ?
C3 H3 0.9300 . ?
N2 C27 1.262(4) . ?
N2 N2 1.406(5) 3_666 ?
C27 C23 1.462(4) . ?
C27 H27 0.9300 . ?
C26 C25 1.378(5) . ?
C26 H26 0.9300 . ?
C25 C24 1.380(5) . ?
C25 H25 0.9300 . ?
C24 C23 1.376(5) . ?
C24 H24 0.9300 . ?
C23 C22 1.392(4) . ?
C22 H22 0.9300 . ?
C21 C20 1.417(5) . ?
C20 H20 0.9300 . ?
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 O1 C1 O2 14.2(4) . . . . ?
Ni1 O1 C1 C2 -163.05(18) . . . . ?
C20 C19 C18 C17 -1.7(8) . . . . ?
C19 C18 C17 C16 3.0(8) . . . . ?
C18 C17 C16 C15 176.7(5) . . . . ?
C18 C17 C16 C21 -1.3(7) . . . . ?
C21 C16 C15 C14 1.7(6) . . . . ?
C17 C16 C15 C14 -176.2(4) . . . . ?
C16 C15 C14 C13 176.2(4) . . . . ?
C16 C15 C14 C9 -0.8(6) . . . . ?
C15 C14 C13 C12 -176.7(5) . . . . ?
C9 C14 C13 C12 0.4(7) . . . . ?
C14 C13 C12 C11 -0.2(8) . . . . ?
C13 C12 C11 C10 -0.8(8) . . . . ?
C12 C11 C10 C9 1.5(6) . . . . ?
C11 C10 C9 C8 177.0(4) . . . . ?
C11 C10 C9 C14 -1.3(5) . . . . ?
C15 C14 C9 C8 -0.9(5) . . . . ?
C13 C14 C9 C8 -178.0(4) . . . . ?
C15 C14 C9 C10 177.5(4) . . . . ?
C13 C14 C9 C10 0.4(5) . . . . ?
C10 C9 C8 C21 -176.7(3) . . . . ?
C14 C9 C8 C21 1.6(5) . . . . ?
C10 C9 C8 C5 2.3(5) . . . . ?
C14 C9 C8 C5 -179.3(3) . . . . ?
C2 C7 C6 C5 -0.5(6) . . . . ?
C7 C6 C5 C4 1.6(6) . . . . ?
C7 C6 C5 C8 179.7(3) . . . . ?
C9 C8 C5 C4 -90.3(4) . . . . ?
C21 C8 C5 C4 88.8(4) . . . . ?
C9 C8 C5 C6 91.6(4) . . . . ?
C21 C8 C5 C6 -89.4(4) . . . . ?
C6 C5 C4 C3 -1.2(5) . . . . ?
C8 C5 C4 C3 -179.3(3) . . . . ?
C5 C4 C3 C2 -0.3(5) . . . . ?
C4 C3 C2 C7 1.3(5) . . . . ?
C4 C3 C2 C1 -176.9(3) . . . . ?
C6 C7 C2 C3 -1.0(5) . . . . ?
C6 C7 C2 C1 177.3(3) . . . . ?
O2 C1 C2 C3 3.6(4) . . . . ?
O1 C1 C2 C3 -178.9(3) . . . . ?
O2 C1 C2 C7 -174.7(3) . . . . ?
O1 C1 C2 C7 2.8(4) . . . . ?
N2 N2 C27 C23 -179.4(3) 3_666 . . . ?
C22 N1 C26 C25 -1.1(5) . . . . ?
Ni1 N1 C26 C25 -176.5(3) . . . . ?
N1 C26 C25 C24 1.9(6) . . . . ?
C26 C25 C24 C23 -0.7(6) . . . . ?
C25 C24 C23 C22 -1.1(5) . . . . ?
C25 C24 C23 C27 176.7(3) . . . . ?
N2 C27 C23 C24 -161.4(3) . . . . ?
N2 C27 C23 C22 16.4(5) . . . . ?
C26 N1 C22 C23 -0.9(5) . . . . ?
Ni1 N1 C22 C23 174.8(2) . . . . ?
C24 C23 C22 N1 2.0(5) . . . . ?
C27 C23 C22 N1 -175.9(3) . . . . ?
C9 C8 C21 C20 178.0(3) . . . . ?
C5 C8 C21 C20 -1.1(5) . . . . ?
C9 C8 C21 C16 -0.7(5) . . . . ?
C5 C8 C21 C16 -179.8(3) . . . . ?
C15 C16 C21 C8 -1.0(5) . . . . ?
C17 C16 C21 C8 177.0(3) . . . . ?
C15 C16 C21 C20 -179.7(4) . . . . ?
C17 C16 C21 C20 -1.7(5) . . . . ?
C18 C19 C20 C21 -1.4(8) . . . . ?
C8 C21 C20 C19 -175.6(4) . . . . ?
C16 C21 C20 C19 3.1(6) . . . . ?
