#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:37:21 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229144 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/12/7231266.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_7231266
loop_
_publ_author_name
'Lu, Sheng-Quan'
'Fang, Kang'
'Liu, Yong-Yao'
'Li, Ming-Xing'
'Liu, Sui-Jun'
'He, Xiang'
_publ_section_title
;
 Multivariant synthesis, crystal structures and properties of four nickel
 coordination polymers based on flexible ligands
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              5045
_journal_paper_doi               10.1039/C8CE00837J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C28 H22 N2 Ni O10'
_chemical_formula_weight         605.18
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-21 deposited with the CCDC.
2018-07-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.796(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.498(3)
_cell_length_b                   15.706(4)
_cell_length_c                   15.066(4)
_cell_measurement_reflns_used    3145
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.626
_cell_measurement_theta_min      2.173
_cell_volume                     2985.9(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18466
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.626
_diffrn_reflns_theta_min         1.942
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_description       ROD
_exptl_crystal_F_000             1248
_exptl_crystal_recrystallization_method 'hydrothermal synthesis'
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.970
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6834
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.181
_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0857
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2897
_refine_ls_wR_factor_ref         0.3175
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4638
_reflns_number_total             6834
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00837j2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7231265--7231268.cif.
;
_cod_database_code               7231266
_shelx_shelxl_version_number     2014/7
_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.
;
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
C1 C 0.0369(4) 0.4201(3) 0.2833(3) 0.0308(10) Uani 1 1 d . .
C2 C 0.0758(4) 0.4642(3) 0.3762(3) 0.0332(10) Uani 1 1 d . .
C3 C 0.1235(4) 0.4185(3) 0.4588(3) 0.0352(11) Uani 1 1 d . .
H3 H 0.1290 0.3596 0.4560 0.042 Uiso 1 1 calc R U
C4 C 0.1630(4) 0.4594(3) 0.5455(4) 0.0372(11) Uani 1 1 d . .
C5 C 0.1564(4) 0.5477(3) 0.5505(3) 0.0339(11) Uani 1 1 d . .
H5 H 0.1848 0.5756 0.6084 0.041 Uiso 1 1 calc R U
C6 C 0.1067(4) 0.5933(3) 0.4675(3) 0.0298(10) Uani 1 1 d . .
C7 C 0.0666(4) 0.5528(3) 0.3807(3) 0.0312(10) Uani 1 1 d . .
H7 H 0.0337 0.5841 0.3257 0.037 Uiso 1 1 calc R U
C8 C 0.0995(4) 0.6883(3) 0.4707(3) 0.0297(10) Uani 1 1 d . .
C9 C 0.2499(5) 0.4438(4) 0.7133(4) 0.0459(13) Uani 1 1 d . .
H9A H 0.1932 0.4647 0.7328 0.055 Uiso 1 1 calc R U
H9B H 0.2971 0.4908 0.7146 0.055 Uiso 1 1 calc R U
C10 C 0.3097(5) 0.3730(4) 0.7780(4) 0.0466(13) Uani 1 1 d . .
C11 C 0.4162(5) 0.3656(4) 0.8021(4) 0.0418(12) Uani 1 1 d . .
H11 H 0.4527 0.4079 0.7831 0.050 Uiso 1 1 calc R U
C12 C 0.4723(4) 0.2973(4) 0.8541(4) 0.0411(12) Uani 1 1 d . .
C13 C 0.4192(5) 0.2347(4) 0.8832(4) 0.0532(16) Uani 1 1 d . .
H13 H 0.4561 0.1891 0.9194 0.064 Uiso 1 1 calc R U
C14 C 0.3080(6) 0.2403(5) 0.8573(5) 0.0624(18) Uani 1 1 d . .
H14 H 0.2714 0.1976 0.8755 0.075 Uiso 1 1 calc R U
C15 C 0.2542(5) 0.3082(5) 0.8059(5) 0.0555(16) Uani 1 1 d . .
H15 H 0.1810 0.3117 0.7892 0.067 Uiso 1 1 calc R U
C16 C 0.5879(4) 0.2927(3) 0.8754(4) 0.0410(12) Uani 1 1 d . .
C17 C 0.1793(4) 0.2937(4) 0.1031(4) 0.0421(13) Uani 1 1 d . .
H17 H 0.1478 0.2404 0.0974 0.050 Uiso 1 1 calc R U
C18 C 0.2758(5) 0.3004(4) 0.0924(5) 0.0502(15) Uani 1 1 d . .
H18 H 0.3071 0.2524 0.0775 0.060 Uiso 1 1 calc R U
C19 C 0.3270(4) 0.3784(4) 0.1036(4) 0.0482(14) Uani 1 1 d . .
C20 C 0.2778(5) 0.4457(4) 0.1256(5) 0.0492(14) Uani 1 1 d . .
H20 H 0.3105 0.4988 0.1360 0.059 Uiso 1 1 calc R U
C21 C 0.1779(4) 0.4360(4) 0.1329(4) 0.0452(13) Uani 1 1 d . .
H21 H 0.1448 0.4837 0.1462 0.054 Uiso 1 1 calc R U
C22 C 0.4325(5) 0.3888(5) 0.0910(5) 0.0584(17) Uani 1 1 d . .
H22A H 0.4265 0.3678 0.0288 0.070 Uiso 1 1 calc R U
H22B H 0.4499 0.4489 0.0936 0.070 Uiso 1 1 calc R U
C23 C 0.5198(6) 0.3431(6) 0.1641(6) 0.076(3) Uani 1 1 d . .
H23A H 0.4985 0.2842 0.1655 0.091 Uiso 1 1 calc R U
H23B H 0.5289 0.3677 0.2256 0.091 Uiso 1 1 calc R U
C24 C 0.6264(5) 0.3441(4) 0.1511(5) 0.0504(16) Uani 1 1 d . .
C25 C 0.6534(5) 0.4040(5) 0.0966(4) 0.0541(16) Uani 1 1 d . .
H25 H 0.6045 0.4452 0.0641 0.065 Uiso 1 1 calc R U
C26 C 0.7525(4) 0.4029(4) 0.0902(4) 0.0412(12) Uani 1 1 d . .
H26 H 0.7689 0.4440 0.0532 0.049 Uiso 1 1 calc R U
C27 C 0.7999(4) 0.2882(4) 0.1869(4) 0.0479(14) Uani 1 1 d . .
H27 H 0.8506 0.2480 0.2190 0.057 Uiso 1 1 calc R U
C28 C 0.7024(5) 0.2841(4) 0.1968(5) 0.0557(16) Uani 1 1 d . .
H28 H 0.6879 0.2418 0.2336 0.067 Uiso 1 1 calc R U
N1 N 0.1284(3) 0.3615(3) 0.1217(3) 0.0313(9) Uani 1 1 d . .
N2 N 0.8262(3) 0.3454(3) 0.1348(3) 0.0335(9) Uani 1 1 d . .
Ni1 Ni -0.02219(4) 0.34885(4) 0.12813(4) 0.0277(3) Uani 1 1 d . .
O1 O 0.0429(3) 0.3407(2) 0.2791(3) 0.0380(9) Uani 1 1 d . .
O2 O -0.0026(3) 0.4635(2) 0.2077(2) 0.0375(8) Uani 1 1 d . .
O3 O 0.0299(3) 0.7237(2) 0.4015(2) 0.0331(8) Uani 1 1 d . .
O4 O 0.1631(3) 0.7268(2) 0.5417(3) 0.0427(9) Uani 1 1 d . .
O5 O 0.2088(4) 0.4084(2) 0.6221(3) 0.0521(11) Uani 1 1 d . .
O6 O 0.6327(3) 0.2210(3) 0.9172(4) 0.0610(12) Uani 1 1 d . .
H6 H 0.6974 0.2259 0.9360 0.091 Uiso 1 1 calc R U
O7 O 0.6374(4) 0.3484(3) 0.8548(4) 0.0572(12) Uani 1 1 d . .
O8 O -0.0887(3) 0.3867(2) -0.0127(2) 0.0389(8) Uani 1 1 d . .
O10 O 0.0352(6) 0.3770(6) 0.8765(5) 0.127(3) Uani 1 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'
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'
O O 0.0106 0.0060 '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
O1 C1 O2 120.2(4) . .
O1 C1 C2 120.3(4) . .
O2 C1 C2 119.4(4) . .
C3 C2 C7 119.5(4) . .
C3 C2 C1 120.2(4) . .
C7 C2 C1 120.2(4) . .
C4 C3 C2 120.6(5) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
O5 C4 C3 115.7(4) . .
O5 C4 C5 124.0(5) . .
C3 C4 C5 120.2(5) . .
C6 C5 C4 119.0(4) . .
C6 C5 H5 120.5 . .
C4 C5 H5 120.5 . .
C7 C6 C5 121.1(4) . .
C7 C6 C8 118.8(4) . .
C5 C6 C8 120.1(4) . .
C6 C7 C2 119.5(4) . .
C6 C7 H7 120.3 . .
C2 C7 H7 120.3 . .
O3 C8 O4 124.9(4) . .
O3 C8 C6 116.8(4) . .
O4 C8 C6 118.2(4) . .
O5 C9 C10 106.0(4) . .
O5 C9 H9A 110.5 . .
C10 C9 H9A 110.5 . .
O5 C9 H9B 110.5 . .
C10 C9 H9B 110.5 . .
H9A C9 H9B 108.7 . .
C11 C10 C15 118.9(6) . .
C11 C10 C9 120.5(6) . .
C15 C10 C9 120.3(6) . .
C10 C11 C12 122.1(6) . .
C10 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C13 C12 C11 119.5(6) . .
C13 C12 C16 121.6(5) . .
C11 C12 C16 119.0(5) . .
C12 C13 C14 119.3(6) . .
C12 C13 H13 120.4 . .
C14 C13 H13 120.4 . .
C15 C14 C13 120.3(6) . .
C15 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C14 C15 C10 120.0(6) . .
C14 C15 H15 120.0 . .
C10 C15 H15 120.0 . .
O7 C16 O6 122.4(5) . .
O7 C16 C12 123.2(5) . .
O6 C16 C12 114.4(5) . .
N1 C17 C18 122.6(5) . .
N1 C17 H17 118.7 . .
C18 C17 H17 118.7 . .
C17 C18 C19 120.4(5) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C20 C19 C18 117.0(5) . .
C20 C19 C22 120.9(6) . .
C18 C19 C22 122.1(6) . .
C19 C20 C21 120.3(5) . .
C19 C20 H20 119.8 . .
C21 C20 H20 119.8 . .
N1 C21 C20 122.8(5) . .
N1 C21 H21 118.6 . .
C20 C21 H21 118.6 . .
C23 C22 C19 113.0(6) . .
C23 C22 H22A 109.0 . .
C19 C22 H22A 109.0 . .
C23 C22 H22B 109.0 . .
C19 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C22 C23 C24 116.0(6) . .
C22 C23 H23A 108.3 . .
C24 C23 H23A 108.3 . .
C22 C23 H23B 108.3 . .
C24 C23 H23B 108.3 . .
H23A C23 H23B 107.4 . .
C25 C24 C28 117.1(5) . .
C25 C24 C23 123.0(6) . .
C28 C24 C23 119.8(5) . .
C26 C25 C24 120.1(6) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
N2 C26 C25 122.9(5) . .
N2 C26 H26 118.5 . .
C25 C26 H26 118.5 . .
N2 C27 C28 124.3(5) . .
N2 C27 H27 117.8 . .
C28 C27 H27 117.8 . .
C27 C28 C24 118.9(5) . .
C27 C28 H28 120.6 . .
C24 C28 H28 120.6 . .
C21 N1 C17 116.8(4) . .
C21 N1 Ni1 122.3(4) . .
C17 N1 Ni1 120.8(3) . .
C27 N2 C26 116.7(5) . .
C27 N2 Ni1 121.4(4) . 1_655
C26 N2 Ni1 121.8(4) . 1_655
O3 Ni1 O8 94.82(15) 2_545 .
O3 Ni1 N1 93.32(15) 2_545 .
O8 Ni1 N1 90.00(15) . .
O3 Ni1 N2 90.60(15) 2_545 1_455
O8 Ni1 N2 88.92(16) . 1_455
N1 Ni1 N2 176.01(16) . 1_455
O3 Ni1 O2 159.90(14) 2_545 .
O8 Ni1 O2 104.81(15) . .
N1 Ni1 O2 91.00(15) . .
N2 Ni1 O2 85.56(15) 1_455 .
O3 Ni1 O1 98.49(14) 2_545 .
O8 Ni1 O1 166.58(14) . .
N1 Ni1 O1 90.91(16) . .
N2 Ni1 O1 89.25(16) 1_455 .
O2 Ni1 O1 61.79(13) . .
C1 O1 Ni1 89.1(3) . .
C1 O2 Ni1 88.8(3) . .
C8 O3 Ni1 125.5(3) . 2
C4 O5 C9 120.0(4) . .
C16 O6 H6 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.252(6) .
C1 O2 1.270(6) .
C1 C2 1.481(7) .
C2 C3 1.382(7) .
C2 C7 1.401(7) .
C3 C4 1.382(7) .
C3 H3 0.9300 .
C4 O5 1.361(6) .
C4 C5 1.392(7) .
C5 C6 1.389(7) .
C5 H5 0.9300 .
C6 C7 1.380(7) .
C6 C8 1.497(7) .
C7 H7 0.9300 .
C8 O3 1.259(6) .
C8 O4 1.263(6) .
C9 O5 1.401(6) .
C9 C10 1.511(8) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.357(8) .
C10 C15 1.413(9) .
C11 C12 1.384(8) .
C11 H11 0.9300 .
C12 C13 1.378(8) .
C12 C16 1.478(8) .
C13 C14 1.413(9) .
C13 H13 0.9300 .
C14 C15 1.366(9) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O7 1.206(7) .
C16 O6 1.327(7) .
C17 N1 1.349(7) .
C17 C18 1.373(8) .
C17 H17 0.9300 .
C18 C19 1.387(9) .
C18 H18 0.9300 .
C19 C20 1.352(8) .
C19 C22 1.511(8) .
C20 C21 1.399(7) .
C20 H20 0.9300 .
C21 N1 1.329(7) .
C21 H21 0.9300 .
C22 C23 1.481(10) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.520(8) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.381(8) .
C24 C28 1.382(9) .
C25 C26 1.375(8) .
C25 H25 0.9300 .
C26 N2 1.335(7) .
C26 H26 0.9300 .
C27 N2 1.322(7) .
C27 C28 1.378(8) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N1 Ni1 2.078(4) .
N2 Ni1 2.085(4) 1_655
Ni1 O3 2.010(3) 2_545
Ni1 O8 2.075(4) .
Ni1 N2 2.085(4) 1_455
Ni1 O2 2.127(4) .
Ni1 O1 2.132(4) .
O3 Ni1 2.010(3) 2
O6 H6 0.8200 .
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_4
O1 C1 C2 C3 3.0(8) .
O2 C1 C2 C3 -177.0(5) .
O1 C1 C2 C7 -178.5(5) .
O2 C1 C2 C7 1.5(7) .
C7 C2 C3 C4 -0.7(8) .
C1 C2 C3 C4 177.9(5) .
C2 C3 C4 O5 -179.7(5) .
C2 C3 C4 C5 -0.8(8) .
O5 C4 C5 C6 -179.2(5) .
C3 C4 C5 C6 1.9(8) .
C4 C5 C6 C7 -1.6(7) .
C4 C5 C6 C8 -179.3(5) .
C5 C6 C7 C2 0.2(7) .
C8 C6 C7 C2 177.9(4) .
C3 C2 C7 C6 0.9(7) .
C1 C2 C7 C6 -177.6(4) .
C7 C6 C8 O3 21.9(6) .
C5 C6 C8 O3 -160.4(4) .
C7 C6 C8 O4 -157.9(5) .
C5 C6 C8 O4 19.8(6) .
O5 C9 C10 C11 97.1(6) .
O5 C9 C10 C15 -76.0(7) .
C15 C10 C11 C12 -0.8(9) .
C9 C10 C11 C12 -174.0(5) .
C10 C11 C12 C13 -0.4(9) .
C10 C11 C12 C16 178.4(5) .
C11 C12 C13 C14 1.6(9) .
C16 C12 C13 C14 -177.2(6) .
C12 C13 C14 C15 -1.5(11) .
C13 C14 C15 C10 0.2(11) .
C11 C10 C15 C14 0.9(10) .
C9 C10 C15 C14 174.1(6) .
C13 C12 C16 O7 -176.4(6) .
C11 C12 C16 O7 4.8(9) .
C13 C12 C16 O6 5.2(8) .
C11 C12 C16 O6 -173.6(5) .
N1 C17 C18 C19 2.2(10) .
C17 C18 C19 C20 0.3(10) .
C17 C18 C19 C22 -179.2(6) .
C18 C19 C20 C21 -2.3(9) .
C22 C19 C20 C21 177.2(6) .
C19 C20 C21 N1 2.0(10) .
C20 C19 C22 C23 114.4(8) .
C18 C19 C22 C23 -66.2(9) .
C19 C22 C23 C24 174.8(6) .
C22 C23 C24 C25 20.8(12) .
C22 C23 C24 C28 -160.7(8) .
C28 C24 C25 C26 -0.6(10) .
C23 C24 C25 C26 178.0(7) .
C24 C25 C26 N2 0.2(10) .
N2 C27 C28 C24 -1.1(11) .
C25 C24 C28 C27 1.0(10) .
C23 C24 C28 C27 -177.6(7) .
C20 C21 N1 C17 0.4(9) .
C20 C21 N1 Ni1 -177.8(4) .
C18 C17 N1 C21 -2.5(9) .
C18 C17 N1 Ni1 175.8(5) .
C28 C27 N2 C26 0.7(9) .
C28 C27 N2 Ni1 177.8(5) 1_655
C25 C26 N2 C27 -0.2(9) .
C25 C26 N2 Ni1 -177.3(5) 1_655
O2 C1 O1 Ni1 2.2(5) .
C2 C1 O1 Ni1 -177.8(4) .
O1 C1 O2 Ni1 -2.2(5) .
C2 C1 O2 Ni1 177.8(4) .
O4 C8 O3 Ni1 14.0(7) 2
C6 C8 O3 Ni1 -165.8(3) 2
C3 C4 O5 C9 -179.1(5) .
C5 C4 O5 C9 2.0(9) .
C10 C9 O5 C4 -170.9(5) .
