#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:07:08 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223707 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/33/7233325.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_7233325
loop_
_publ_author_name
'Liu, Guocheng'
'Li, Yan'
'Lu, Zhenjie'
'Li, Xiaowu'
'Wang, Xiuli'
'Wang, Xiang'
'Chen, Xingxing'
_publ_section_title
;
 Versatile carboxylate-directed structures of ten 1D → 3D
 Ni(ii) coordination polymers: fluorescence behaviors and electrochemical
 activities
;
_journal_issue                   35
_journal_name_full               CrystEngComm
_journal_page_first              5344
_journal_paper_doi               10.1039/C9CE01060B
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C56 H50 N8 Ni O10'
_chemical_formula_sum            'C56 H50 N8 Ni O10'
_chemical_formula_weight         1053.73
_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
;
2018-12-27 deposited with the CCDC.    2019-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.320(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.6915(4)
_cell_length_b                   23.6757(8)
_cell_length_c                   10.0123(4)
_cell_measurement_reflns_used    8974
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.998
_cell_measurement_theta_min      2.321
_cell_volume                     2615.38(16)
_computing_cell_refinement       'SAINT-plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-plus (Bruker, 2007)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            32566
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         1.720
_exptl_absorpt_coefficient_mu    0.438
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_correction_T_min  0.874
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_description       block
_exptl_crystal_F_000             1100
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.252
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         5159
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0389
_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)+(0.0416P)²+1.9845P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.1018
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4487
_reflns_number_total             5159
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01060b2.cif
_cod_data_source_block           Ni-5
_cod_depositor_comments
'Adding full bibliography for 7233319--7233328.cif.'
_cod_database_code               7233325
_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.
;
_shelx_estimated_absorpt_t_min   0.937
_shelx_estimated_absorpt_t_max   0.953
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
Ni1 Ni 1.0000 0.0000 0.0000 0.02624(10) Uani 1 2 d S . P
O1 O 0.82504(17) 0.20415(7) 0.4044(2) 0.0607(5) Uani 1 1 d . . .
O2 O 0.25302(14) 0.21337(7) 0.55104(17) 0.0480(4) Uani 1 1 d . . .
O3 O 0.81409(12) 0.01030(6) -0.08028(14) 0.0318(3) Uani 1 1 d . . .
O4 O 0.77359(14) 0.04604(8) -0.29729(17) 0.0498(4) Uani 1 1 d . . .
O5 O 0.66654(17) 0.10001(9) -0.0136(2) 0.0712(6) Uani 1 1 d . . .
N1 N 0.98936(14) 0.03320(7) 0.19257(17) 0.0307(4) Uani 1 1 d . . .
N2 N 0.83685(16) 0.13136(8) 0.55238(18) 0.0384(4) Uani 1 1 d . . .
H2 H 0.8010 0.1116 0.5987 0.046 Uiso 1 1 calc R U .
N3 N 0.20089(17) 0.23198(8) 0.3183(2) 0.0409(4) Uani 1 1 d . . .
H3 H 0.2220 0.2322 0.2438 0.049 Uiso 1 1 calc R U .
N4 N 0.03669(14) 0.41449(7) 0.45610(18) 0.0315(4) Uani 1 1 d . . .
C1 C 1.08263(18) 0.06155(9) 0.2826(2) 0.0364(5) Uani 1 1 d . . .
H1 H 1.1553 0.0628 0.2637 0.044 Uiso 1 1 calc R U .
C2 C 1.07639(18) 0.08885(9) 0.4012(2) 0.0367(5) Uani 1 1 d . . .
H2A H 1.1436 0.1081 0.4600 0.044 Uiso 1 1 calc R U .
C3 C 0.96941(18) 0.08759(9) 0.4325(2) 0.0326(4) Uani 1 1 d . . .
C4 C 0.87382(19) 0.05829(10) 0.3411(2) 0.0419(5) Uani 1 1 d . . .
H4 H 0.8006 0.0560 0.3586 0.050 Uiso 1 1 calc R U .
C5 C 0.88646(19) 0.03226(9) 0.2236(2) 0.0384(5) Uani 1 1 d . . .
H5 H 0.8202 0.0131 0.1629 0.046 Uiso 1 1 calc R U .
C6 C 0.95972(19) 0.11735(10) 0.5617(2) 0.0416(5) Uani 1 1 d . . .
H6A H 0.9948 0.0934 0.6437 0.050 Uiso 1 1 calc R U .
H6B H 1.0071 0.1518 0.5763 0.050 Uiso 1 1 calc R U .
C7 C 0.7782(2) 0.17458(9) 0.4730(2) 0.0391(5) Uani 1 1 d . . .
C8 C 0.6496(2) 0.18478(9) 0.4683(2) 0.0383(5) Uani 1 1 d . . .
C9 C 0.6001(2) 0.16093(11) 0.5628(3) 0.0525(6) Uani 1 1 d . . .
H9 H 0.6471 0.1371 0.6335 0.063 Uiso 1 1 calc R U .
C10 C 0.4817(2) 0.17204(11) 0.5535(3) 0.0518(6) Uani 1 1 d . . .
H10 H 0.4504 0.1563 0.6192 0.062 Uiso 1 1 calc R U .
C11 C 0.4094(2) 0.20639(9) 0.4474(2) 0.0386(5) Uani 1 1 d . . .
C12 C 0.4587(2) 0.23063(11) 0.3523(3) 0.0508(6) Uani 1 1 d . . .
H12 H 0.4113 0.2540 0.2807 0.061 Uiso 1 1 calc R U .
C13 C 0.5777(2) 0.22015(11) 0.3635(3) 0.0508(6) Uani 1 1 d . . .
H13 H 0.6101 0.2370 0.3001 0.061 Uiso 1 1 calc R U .
C14 C 0.2819(2) 0.21733(9) 0.4441(2) 0.0380(5) Uani 1 1 d . . .
C15 C 0.0782(2) 0.24732(9) 0.3080(3) 0.0412(5) Uani 1 1 d . . .
H15A H 0.0469 0.2192 0.3575 0.049 Uiso 1 1 calc R U .
H15B H 0.0276 0.2467 0.2092 0.049 Uiso 1 1 calc R U .
C16 C 0.06853(18) 0.30487(8) 0.3686(2) 0.0326(4) Uani 1 1 d . . .
C17 C 0.15968(18) 0.34492(9) 0.3959(2) 0.0377(5) Uani 1 1 d . . .
H17 H 0.2336 0.3358 0.3855 0.045 Uiso 1 1 calc R U .
C18 C 0.14034(18) 0.39844(9) 0.4386(2) 0.0348(4) Uani 1 1 d . . .
H18 H 0.2027 0.4247 0.4560 0.042 Uiso 1 1 calc R U .
C19 C -0.04874(18) 0.37461(9) 0.4373(2) 0.0357(5) Uani 1 1 d . . .
H19 H -0.1199 0.3841 0.4543 0.043 Uiso 1 1 calc R U .
C20 C -0.03663(18) 0.32020(9) 0.3941(2) 0.0360(5) Uani 1 1 d . . .
H20 H -0.0986 0.2941 0.3822 0.043 Uiso 1 1 calc R U .
C21 C 0.74459(18) 0.03163(8) -0.1940(2) 0.0319(4) Uani 1 1 d . . .
C22 C 0.61282(18) 0.03850(10) -0.2061(2) 0.0387(5) Uani 1 1 d . . .
C23 C 0.5766(2) 0.07307(11) -0.1152(3) 0.0489(6) Uani 1 1 d . . .
C24 C 0.4529(2) 0.07998(15) -0.1367(3) 0.0687(8) Uani 1 1 d . . .
H24 H 0.4280 0.1026 -0.0756 0.082 Uiso 1 1 calc R U .
C25 C 0.3680(2) 0.05331(16) -0.2483(4) 0.0752(10) Uani 1 1 d . . .
H25 H 0.2860 0.0583 -0.2623 0.090 Uiso 1 1 calc R U .
C26 C 0.4030(2) 0.01970(17) -0.3383(4) 0.0754(9) Uani 1 1 d . . .
H26 H 0.3453 0.0021 -0.4139 0.090 Uiso 1 1 calc R U .
C27 C 0.5254(2) 0.01201(13) -0.3162(3) 0.0551(7) Uani 1 1 d . . .
H27 H 0.5491 -0.0115 -0.3768 0.066 Uiso 1 1 calc R U .
C28 C 0.6351(4) 0.13614(18) 0.0828(4) 0.1013(14) Uani 1 1 d . . .
H28A H 0.5814 0.1652 0.0309 0.152 Uiso 1 1 calc R U .
H28B H 0.7072 0.1531 0.1464 0.152 Uiso 1 1 calc R U .
H28C H 0.5956 0.1145 0.1358 0.152 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
O3 Ni1 O3 180.0 . 3_755
O3 Ni1 N1 86.53(6) . .
O3 Ni1 N1 93.47(6) 3_755 .
O3 Ni1 N1 93.47(6) . 3_755
O3 Ni1 N1 86.53(6) 3_755 3_755
N1 Ni1 N1 180.0 . 3_755
O3 Ni1 N4 93.72(6) . 4_665
O3 Ni1 N4 86.28(6) 3_755 4_665
N1 Ni1 N4 84.98(6) . 4_665
N1 Ni1 N4 95.02(6) 3_755 4_665
O3 Ni1 N4 86.28(6) . 2_645
O3 Ni1 N4 93.72(6) 3_755 2_645
N1 Ni1 N4 95.02(6) . 2_645
N1 Ni1 N4 84.98(6) 3_755 2_645
N4 Ni1 N4 180.00(10) 4_665 2_645
C21 O3 Ni1 132.60(13) . .
C23 O5 C28 118.7(2) . .
C5 N1 C1 116.43(17) . .
C5 N1 Ni1 122.13(14) . .
C1 N1 Ni1 121.08(13) . .
C7 N2 C6 121.12(19) . .
C7 N2 H2 119.4 . .
C6 N2 H2 119.4 . .
C14 N3 C15 120.28(19) . .
C14 N3 H3 119.9 . .
C15 N3 H3 119.9 . .
C18 N4 C19 116.56(17) . .
C18 N4 Ni1 123.16(13) . 2_655
C19 N4 Ni1 120.19(13) . 2_655
N1 C1 C2 123.48(19) . .
N1 C1 H1 118.3 . .
C2 C1 H1 118.3 . .
C1 C2 C3 119.67(19) . .
C1 C2 H2A 120.2 . .
C3 C2 H2A 120.2 . .
C4 C3 C2 117.08(19) . .
C4 C3 C6 122.06(18) . .
C2 C3 C6 120.85(18) . .
C3 C4 C5 120.03(19) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
N1 C5 C4 123.31(19) . .
N1 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
N2 C6 C3 113.97(17) . .
N2 C6 H6A 108.8 . .
C3 C6 H6A 108.8 . .
N2 C6 H6B 108.8 . .
C3 C6 H6B 108.8 . .
H6A C6 H6B 107.7 . .
O1 C7 N2 122.1(2) . .
O1 C7 C8 121.0(2) . .
N2 C7 C8 116.83(19) . .
C9 C8 C13 118.6(2) . .
C9 C8 C7 123.5(2) . .
C13 C8 C7 117.9(2) . .
C10 C9 C8 120.9(2) . .
C10 C9 H9 119.5 . .
C8 C9 H9 119.5 . .
C9 C10 C11 120.5(2) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C10 C11 C12 118.9(2) . .
C10 C11 C14 118.0(2) . .
C12 C11 C14 123.2(2) . .
C13 C12 C11 120.3(2) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C8 120.8(2) . .
C12 C13 H13 119.6 . .
C8 C13 H13 119.6 . .
O2 C14 N3 121.6(2) . .
O2 C14 C11 121.6(2) . .
N3 C14 C11 116.81(19) . .
N3 C15 C16 113.63(18) . .
N3 C15 H15A 108.8 . .
C16 C15 H15A 108.8 . .
N3 C15 H15B 108.8 . .
C16 C15 H15B 108.8 . .
H15A C15 H15B 107.7 . .
C20 C16 C17 117.18(19) . .
C20 C16 C15 119.95(18) . .
C17 C16 C15 122.83(19) . .
C18 C17 C16 119.72(19) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
N4 C18 C17 123.41(19) . .
N4 C18 H18 118.3 . .
C17 C18 H18 118.3 . .
N4 C19 C20 123.47(18) . .
N4 C19 H19 118.3 . .
C20 C19 H19 118.3 . .
C19 C20 C16 119.45(19) . .
C19 C20 H20 120.3 . .
C16 C20 H20 120.3 . .
O4 C21 O3 126.16(18) . .
O4 C21 C22 117.15(18) . .
O3 C21 C22 116.66(17) . .
C27 C22 C23 119.0(2) . .
C27 C22 C21 118.7(2) . .
C23 C22 C21 122.3(2) . .
O5 C23 C22 116.0(2) . .
O5 C23 C24 124.5(2) . .
C22 C23 C24 119.4(2) . .
C25 C24 C23 120.1(3) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C26 C25 C24 120.7(3) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C25 C26 C27 119.5(3) . .
C25 C26 H26 120.3 . .
C27 C26 H26 120.3 . .
C22 C27 C26 121.3(3) . .
C22 C27 H27 119.3 . .
C26 C27 H27 119.3 . .
O5 C28 H28A 109.5 . .
O5 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
O5 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O3 2.0673(13) .
Ni1 O3 2.0674(13) 3_755
Ni1 N1 2.1235(16) .
Ni1 N1 2.1235(16) 3_755
Ni1 N4 2.1448(16) 4_665
Ni1 N4 2.1448(16) 2_645
O1 C7 1.230(3) .
O2 C14 1.229(3) .
O3 C21 1.265(2) .
O4 C21 1.238(2) .
O5 C23 1.357(3) .
O5 C28 1.426(3) .
N1 C5 1.339(3) .
N1 C1 1.342(3) .
N2 C7 1.337(3) .
N2 C6 1.447(3) .
N2 H2 0.8600 .
N3 C14 1.347(3) .
N3 C15 1.450(3) .
N3 H3 0.8600 .
N4 C18 1.336(3) .
N4 C19 1.342(3) .
C1 C2 1.375(3) .
C1 H1 0.9300 .
C2 C3 1.387(3) .
C2 H2A 0.9300 .
C3 C4 1.375(3) .
C3 C6 1.509(3) .
C4 C5 1.379(3) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.508(3) .
C8 C9 1.382(3) .
C8 C13 1.388(3) .
C9 C10 1.381(3) .
C9 H9 0.9300 .
C10 C11 1.382(3) .
C10 H10 0.9300 .
C11 C12 1.390(3) .
C11 C14 1.502(3) .
C12 C13 1.381(3) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C15 C16 1.511(3) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C20 1.384(3) .
C16 C17 1.384(3) .
C17 C18 1.380(3) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.381(3) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.514(3) .
C22 C27 1.381(3) .
C22 C23 1.390(3) .
C23 C24 1.399(3) .
C24 C25 1.378(5) .
C24 H24 0.9300 .
C25 C26 1.362(5) .
C25 H25 0.9300 .
C26 C27 1.385(4) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O4 0.86 1.95 2.762(2) 156 1_556
N3 H3 O2 0.86 2.44 3.207(3) 148 4_565
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
C5 N1 C1 C2 -0.2(3) .
Ni1 N1 C1 C2 173.08(17) .
N1 C1 C2 C3 0.3(3) .
C1 C2 C3 C4 0.1(3) .
C1 C2 C3 C6 -179.8(2) .
C2 C3 C4 C5 -0.6(3) .
C6 C3 C4 C5 179.3(2) .
C1 N1 C5 C4 -0.3(3) .
Ni1 N1 C5 C4 -173.51(18) .
C3 C4 C5 N1 0.7(4) .
C7 N2 C6 C3 -75.7(3) .
C4 C3 C6 N2 -22.8(3) .
C2 C3 C6 N2 157.1(2) .
C6 N2 C7 O1 0.2(3) .
C6 N2 C7 C8 178.76(18) .
O1 C7 C8 C9 -166.7(2) .
N2 C7 C8 C9 14.7(3) .
O1 C7 C8 C13 13.1(3) .
N2 C7 C8 C13 -165.4(2) .
C13 C8 C9 C10 -0.1(4) .
C7 C8 C9 C10 179.7(2) .
C8 C9 C10 C11 1.4(4) .
C9 C10 C11 C12 -1.5(4) .
C9 C10 C11 C14 -179.4(2) .
C10 C11 C12 C13 0.4(4) .
C14 C11 C12 C13 178.1(2) .
C11 C12 C13 C8 0.9(4) .
C9 C8 C13 C12 -1.0(4) .
C7 C8 C13 C12 179.1(2) .
C15 N3 C14 O2 4.2(3) .
C15 N3 C14 C11 -175.42(18) .
C10 C11 C14 O2 24.2(3) .
C12 C11 C14 O2 -153.5(2) .
C10 C11 C14 N3 -156.1(2) .
C12 C11 C14 N3 26.1(3) .
C14 N3 C15 C16 73.7(3) .
N3 C15 C16 C20 -166.12(19) .
N3 C15 C16 C17 16.4(3) .
C20 C16 C17 C18 -3.7(3) .
C15 C16 C17 C18 173.9(2) .
C19 N4 C18 C17 3.5(3) .
Ni1 N4 C18 C17 -173.00(17) 2_655
C16 C17 C18 N4 0.2(3) .
C18 N4 C19 C20 -3.7(3) .
Ni1 N4 C19 C20 172.88(16) 2_655
N4 C19 C20 C16 0.3(3) .
C17 C16 C20 C19 3.5(3) .
C15 C16 C20 C19 -174.2(2) .
Ni1 O3 C21 O4 10.0(3) .
Ni1 O3 C21 C22 -171.97(13) .
O4 C21 C22 C27 57.0(3) .
O3 C21 C22 C27 -121.3(2) .
O4 C21 C22 C23 -119.3(2) .
O3 C21 C22 C23 62.5(3) .
C28 O5 C23 C22 179.9(3) .
C28 O5 C23 C24 2.8(5) .
C27 C22 C23 O5 -176.9(2) .
C21 C22 C23 O5 -0.7(3) .
C27 C22 C23 C24 0.4(4) .
C21 C22 C23 C24 176.6(2) .
O5 C23 C24 C25 176.1(3) .
C22 C23 C24 C25 -0.9(4) .
C23 C24 C25 C26 0.4(5) .
C24 C25 C26 C27 0.6(5) .
C23 C22 C27 C26 0.6(4) .
C21 C22 C27 C26 -175.7(3) .
C25 C26 C27 C22 -1.1(5) .
