#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:07:08 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223707 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/33/7233324.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_7233324
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         'C29 H26 N4 Ni O7'
_chemical_formula_sum            'C29 H26 N4 Ni O7'
_chemical_formula_weight         601.23
_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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-12-12 deposited with the CCDC.    2019-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.939(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.736(2)
_cell_length_b                   8.6412(9)
_cell_length_c                   17.0260(17)
_cell_measurement_reflns_used    835
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.894
_cell_measurement_theta_min      2.393
_cell_volume                     2653.9(5)
_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 0.999
_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  0.1099
_diffrn_reflns_av_unetI/netI     0.1246
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16175
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.083
_diffrn_reflns_theta_min         2.258
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_description       block
_exptl_crystal_F_000             1248
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5268
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.0553
_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)+(0.0360P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1235
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2934
_reflns_number_total             5268
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01060b2.cif
_cod_data_source_block           Ni-6
_cod_depositor_comments
'Adding full bibliography for 7233319--7233328.cif.'
_cod_database_code               7233324
_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   0.871
_shelx_estimated_absorpt_t_max   0.911
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
Ni1 Ni 0.50682(3) 0.32726(7) 0.84276(3) 0.02174(16) Uani 1 1 d . .
O1W O 0.50221(15) 0.5635(3) 0.86627(16) 0.0275(7) Uani 1 1 d . .
H1A H 0.5051 0.6181 0.8223 0.033 Uiso 1 1 d R U
H1B H 0.4644 0.6032 0.8770 0.033 Uiso 1 1 d R U
O1 O 0.12577(18) 0.5338(4) 0.84215(19) 0.0461(10) Uani 1 1 d . .
O2 O -0.0936(2) 0.8256(5) 0.4102(2) 0.0565(11) Uani 1 1 d . .
O3 O 0.54328(16) 0.2931(3) 0.97336(18) 0.0306(8) Uani 1 1 d . .
O4 O 0.60732(17) 0.2731(4) 1.11384(18) 0.0425(9) Uani 1 1 d . .
O5 O 0.50838(16) 0.1051(3) 0.80011(17) 0.0263(7) Uani 1 1 d . .
O6 O 0.53260(16) -0.1425(3) 0.78909(17) 0.0281(8) Uani 1 1 d . .
N1 N 0.39845(19) 0.2929(4) 0.8334(2) 0.0290(10) Uani 1 1 d . .
N2 N 0.12235(19) 0.3526(5) 0.7453(2) 0.0368(11) Uani 1 1 d . .
H2 H 0.1044 0.3278 0.6918 0.044 Uiso 1 1 calc R U
N3 N -0.10732(19) 1.0069(5) 0.4971(2) 0.0386(11) Uani 1 1 d . .
H3 H -0.0989 1.0323 0.5491 0.046 Uiso 1 1 calc R U
N4 N -0.38333(19) 1.1341(4) 0.3561(2) 0.0258(9) Uani 1 1 d . .
C1 C 0.3755(3) 0.3601(6) 0.8875(3) 0.0430(14) Uani 1 1 d . .
H1 H 0.4093 0.4166 0.9330 0.052 Uiso 1 1 calc R U
C2 C 0.3030(3) 0.3500(6) 0.8794(3) 0.0499(15) Uani 1 1 d . .
H2A H 0.2887 0.4032 0.9176 0.060 Uiso 1 1 calc R U
C3 C 0.2523(2) 0.2628(6) 0.8159(3) 0.0332(12) Uani 1 1 d . .
C4 C 0.2778(3) 0.1905(8) 0.7631(4) 0.081(2) Uani 1 1 d . .
H4 H 0.2462 0.1273 0.7193 0.097 Uiso 1 1 calc R U
C5 C 0.3504(3) 0.2095(8) 0.7734(4) 0.074(2) Uani 1 1 d . .
H5 H 0.3657 0.1594 0.7351 0.089 Uiso 1 1 calc R U
C6 C 0.1728(2) 0.2450(6) 0.8072(3) 0.0416(14) Uani 1 1 d . .
H6A H 0.1562 0.1400 0.7895 0.050 Uiso 1 1 calc R U
H6B H 0.1713 0.2620 0.8628 0.050 Uiso 1 1 calc R U
C7 C 0.1025(2) 0.4879(7) 0.7674(3) 0.0361(13) Uani 1 1 d . .
C8 C 0.0499(2) 0.5843(6) 0.6956(3) 0.0342(12) Uani 1 1 d . .
C9 C 0.0500(3) 0.7421(6) 0.7051(3) 0.0364(13) Uani 1 1 d . .
H9 H 0.0804 0.7857 0.7575 0.044 Uiso 1 1 calc R U
C10 C 0.0063(2) 0.8384(6) 0.6389(3) 0.0365(12) Uani 1 1 d . .
H10 H 0.0071 0.9450 0.6469 0.044 Uiso 1 1 calc R U
C11 C -0.0386(2) 0.7735(6) 0.5606(3) 0.0349(13) Uani 1 1 d . .
C12 C -0.0417(3) 0.6158(6) 0.5514(3) 0.0420(14) Uani 1 1 d . .
H12 H -0.0738 0.5724 0.4997 0.050 Uiso 1 1 calc R U
C13 C 0.0020(2) 0.5203(6) 0.6176(3) 0.0412(13) Uani 1 1 d . .
H13 H -0.0005 0.4135 0.6102 0.049 Uiso 1 1 calc R U
C14 C -0.0822(3) 0.8722(6) 0.4829(3) 0.0366(13) Uani 1 1 d . .
C15 C -0.1487(2) 1.1138(6) 0.4279(3) 0.0399(13) Uani 1 1 d . .
H15A H -0.1387 1.0886 0.3781 0.048 Uiso 1 1 calc R U
H15B H -0.1304 1.2178 0.4458 0.048 Uiso 1 1 calc R U
C16 C -0.2312(2) 1.1132(5) 0.4013(3) 0.0279(11) Uani 1 1 d . .
C17 C -0.2753(3) 1.2159(6) 0.3388(3) 0.0439(15) Uani 1 1 d . .
H17 H -0.2542 1.2805 0.3112 0.053 Uiso 1 1 calc R U
C18 C -0.3499(3) 1.2219(6) 0.3179(3) 0.0379(13) Uani 1 1 d . .
H18 H -0.3786 1.2902 0.2752 0.045 Uiso 1 1 calc R U
C19 C -0.3417(2) 1.0301(6) 0.4134(3) 0.0345(12) Uani 1 1 d . .
H19 H -0.3645 0.9641 0.4384 0.041 Uiso 1 1 calc R U
C20 C -0.2661(3) 1.0163(6) 0.4369(3) 0.0375(13) Uani 1 1 d . .
H20 H -0.2391 0.9417 0.4767 0.045 Uiso 1 1 calc R U
C21 C 0.5969(2) 0.2403(5) 1.0386(3) 0.0271(11) Uani 1 1 d . .
C22 C 0.6539(2) 0.1379(5) 1.0259(3) 0.0263(11) Uani 1 1 d . .
C23 C 0.6336(2) 0.0081(5) 0.9733(2) 0.0232(10) Uani 1 1 d . .
C24 C 0.6892(3) -0.0767(6) 0.9617(3) 0.0366(13) Uani 1 1 d . .
H24 H 0.6764 -0.1640 0.9268 0.044 Uiso 1 1 calc R U
C25 C 0.7625(3) -0.0335(6) 1.0010(3) 0.0429(14) Uani 1 1 d . .
H25 H 0.7984 -0.0893 0.9908 0.052 Uiso 1 1 calc R U
C26 C 0.7826(3) 0.0915(7) 1.0551(3) 0.0445(14) Uani 1 1 d . .
H26 H 0.8323 0.1185 1.0833 0.053 Uiso 1 1 calc R U
C27 C 0.7288(2) 0.1768(6) 1.0675(3) 0.0394(13) Uani 1 1 d . .
H27 H 0.7426 0.2617 1.1042 0.047 Uiso 1 1 calc R U
C28 C 0.5541(2) -0.0466(5) 0.9279(2) 0.0285(11) Uani 1 1 d . .
H28A H 0.5506 -0.1547 0.9411 0.034 Uiso 1 1 calc R U
H28B H 0.5223 0.0129 0.9476 0.034 Uiso 1 1 calc R U
C29 C 0.5292(2) -0.0263(5) 0.8318(3) 0.0251(11) 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'
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
O5 Ni1 O3 101.45(11) . .
O5 Ni1 O6 77.78(11) . 2_656
O3 Ni1 O6 178.28(12) . 2_656
O5 Ni1 O1W 170.92(11) . .
O3 Ni1 O1W 87.51(11) . .
O6 Ni1 O1W 93.32(11) 2_656 .
O5 Ni1 N1 90.11(13) . .
O3 Ni1 N1 87.73(13) . .
O6 Ni1 N1 90.73(13) 2_656 .
O1W Ni1 N1 91.75(13) . .
O5 Ni1 N4 91.35(13) . 4_676
O3 Ni1 N4 90.74(12) . 4_676
O6 Ni1 N4 90.81(12) 2_656 4_676
O1W Ni1 N4 87.00(13) . 4_676
N1 Ni1 N4 178.07(14) . 4_676
Ni1 O1W H1A 109.2 . .
Ni1 O1W H1B 120.9 . .
H1A O1W H1B 107.6 . .
C21 O3 Ni1 143.0(3) . .
C29 O5 Ni1 138.0(3) . .
C29 O6 Ni1 130.0(3) . 2_646
C5 N1 C1 116.6(4) . .
C5 N1 Ni1 122.4(3) . .
C1 N1 Ni1 121.0(3) . .
C7 N2 C6 123.3(4) . .
C7 N2 H2 118.3 . .
C6 N2 H2 118.3 . .
C14 N3 C15 122.5(4) . .
C14 N3 H3 118.8 . .
C15 N3 H3 118.8 . .
C18 N4 C19 117.3(4) . .
C18 N4 Ni1 123.2(3) . 4_475
C19 N4 Ni1 119.0(3) . 4_475
N1 C1 C2 122.6(5) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C3 C2 C1 120.8(5) . .
C3 C2 H2A 119.6 . .
C1 C2 H2A 119.6 . .
C4 C3 C2 115.6(5) . .
C4 C3 C6 122.5(5) . .
C2 C3 C6 121.9(5) . .
C3 C4 C5 120.6(5) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
N1 C5 C4 123.8(5) . .
N1 C5 H5 118.1 . .
C4 C5 H5 118.1 . .
N2 C6 C3 112.4(4) . .
N2 C6 H6A 109.1 . .
C3 C6 H6A 109.1 . .
N2 C6 H6B 109.1 . .
C3 C6 H6B 109.1 . .
H6A C6 H6B 107.9 . .
O1 C7 N2 123.0(5) . .
O1 C7 C8 120.7(5) . .
N2 C7 C8 116.3(4) . .
C9 C8 C13 118.3(5) . .
C9 C8 C7 119.3(5) . .
C13 C8 C7 122.4(5) . .
C8 C9 C10 122.0(5) . .
C8 C9 H9 119.0 . .
C10 C9 H9 119.0 . .
C9 C10 C11 118.9(5) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
C12 C11 C10 119.6(5) . .
C12 C11 C14 118.5(4) . .
C10 C11 C14 121.8(5) . .
C11 C12 C13 121.1(5) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C12 C13 C8 119.9(5) . .
C12 C13 H13 120.1 . .
C8 C13 H13 120.1 . .
O2 C14 N3 122.7(5) . .
O2 C14 C11 120.1(5) . .
N3 C14 C11 117.2(4) . .
N3 C15 C16 115.1(4) . .
N3 C15 H15A 108.5 . .
C16 C15 H15A 108.5 . .
N3 C15 H15B 108.5 . .
C16 C15 H15B 108.5 . .
H15A C15 H15B 107.5 . .
C20 C16 C17 117.3(4) . .
C20 C16 C15 123.1(4) . .
C17 C16 C15 119.6(4) . .
C18 C17 C16 119.8(5) . .
C18 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
N4 C18 C17 123.0(4) . .
N4 C18 H18 118.5 . .
C17 C18 H18 118.5 . .
N4 C19 C20 122.7(4) . .
N4 C19 H19 118.7 . .
C20 C19 H19 118.7 . .
C16 C20 C19 119.7(4) . .
C16 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
O4 C21 O3 123.4(4) . .
O4 C21 C22 117.3(4) . .
O3 C21 C22 119.3(4) . .
C23 C22 C27 119.3(4) . .
C23 C22 C21 121.8(4) . .
C27 C22 C21 118.8(4) . .
C22 C23 C24 118.5(4) . .
C22 C23 C28 123.3(4) . .
C24 C23 C28 118.2(4) . .
C25 C24 C23 121.3(5) . .
C25 C24 H24 119.4 . .
C23 C24 H24 119.4 . .
C26 C25 C24 120.1(5) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C27 119.6(5) . .
C25 C26 H26 120.2 . .
C27 C26 H26 120.2 . .
C26 C27 C22 121.1(5) . .
C26 C27 H27 119.4 . .
C22 C27 H27 119.4 . .
C29 C28 C23 109.3(4) . .
C29 C28 H28A 109.8 . .
C23 C28 H28A 109.8 . .
C29 C28 H28B 109.8 . .
C23 C28 H28B 109.8 . .
H28A C28 H28B 108.3 . .
O5 C29 O6 124.0(4) . .
O5 C29 C28 118.5(4) . .
O6 C29 C28 117.5(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O5 2.058(3) .
Ni1 O3 2.062(3) .
Ni1 O6 2.073(3) 2_656
Ni1 O1W 2.089(3) .
Ni1 N1 2.100(4) .
Ni1 N4 2.113(4) 4_676
O1W H1A 0.9064 .
O1W H1B 0.9048 .
O1 C7 1.230(5) .
O2 C14 1.233(5) .
O3 C21 1.268(5) .
O4 C21 1.245(5) .
O5 C29 1.252(5) .
O6 C29 1.258(5) .
N1 C5 1.295(6) .
N1 C1 1.315(5) .
N2 C7 1.335(6) .
N2 C6 1.454(5) .
N2 H2 0.8600 .
N3 C14 1.326(6) .
N3 C15 1.459(5) .
N3 H3 0.8600 .
N4 C18 1.335(5) .
N4 C19 1.336(5) .
C1 C2 1.383(6) .
C1 H1 0.9300 .
C2 C3 1.364(6) .
C2 H2A 0.9300 .
C3 C4 1.350(7) .
C3 C6 1.523(6) .
C4 C5 1.380(7) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.496(6) .
C8 C9 1.374(7) .
C8 C13 1.393(6) .
C9 C10 1.385(6) .
C9 H9 0.9300 .
C10 C11 1.385(6) .
C10 H10 0.9300 .
C11 C12 1.370(7) .
C11 C14 1.515(6) .
C12 C13 1.381(6) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C15 C16 1.502(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C20 1.372(6) .
C16 C17 1.388(6) .
C17 C18 1.368(6) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.384(6) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.513(6) .
C22 C23 1.389(6) .
C22 C27 1.397(6) .
C23 C24 1.398(6) .
C23 C28 1.516(6) .
C24 C25 1.376(6) .
C24 H24 0.9300 .
C25 C26 1.370(7) .
C25 H25 0.9300 .
C26 C27 1.378(6) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.515(5) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
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 O2 0.86 2.13 2.913(5) 152 3_566
N3 H3 O1 0.86 2.12 2.913(5) 153 2_556
O1W H1A O5 0.91 1.99 2.778(4) 144 2_656
O1W H1B O4 0.90 1.83 2.715(4) 166 3_667
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 -3.1(8) .
Ni1 N1 C1 C2 174.8(4) .
N1 C1 C2 C3 2.9(9) .
C1 C2 C3 C4 -0.4(8) .
C1 C2 C3 C6 177.9(5) .
C2 C3 C4 C5 -1.5(10) .
C6 C3 C4 C5 -179.8(6) .
C1 N1 C5 C4 1.1(10) .
Ni1 N1 C5 C4 -176.8(5) .
C3 C4 C5 N1 1.2(11) .
C7 N2 C6 C3 -96.2(5) .
C4 C3 C6 N2 -85.5(7) .
C2 C3 C6 N2 96.3(6) .
C6 N2 C7 O1 0.7(7) .
C6 N2 C7 C8 -179.8(4) .
O1 C7 C8 C9 26.1(7) .
N2 C7 C8 C9 -153.5(5) .
O1 C7 C8 C13 -156.1(5) .
N2 C7 C8 C13 24.4(7) .
C13 C8 C9 C10 -2.4(7) .
C7 C8 C9 C10 175.5(4) .
C8 C9 C10 C11 -0.4(7) .
C9 C10 C11 C12 3.3(7) .
C9 C10 C11 C14 -174.0(4) .
C10 C11 C12 C13 -3.3(8) .
C14 C11 C12 C13 174.0(4) .
C11 C12 C13 C8 0.5(8) .
C9 C8 C13 C12 2.3(7) .
C7 C8 C13 C12 -175.5(5) .
C15 N3 C14 O2 -2.0(7) .
C15 N3 C14 C11 178.7(4) .
C12 C11 C14 O2 -29.8(7) .
C10 C11 C14 O2 147.5(5) .
C12 C11 C14 N3 149.5(5) .
C10 C11 C14 N3 -33.3(6) .
C14 N3 C15 C16 101.7(5) .
N3 C15 C16 C20 -2.1(7) .
N3 C15 C16 C17 177.0(4) .
C20 C16 C17 C18 2.9(7) .
C15 C16 C17 C18 -176.3(5) .
C19 N4 C18 C17 -4.1(7) .
Ni1 N4 C18 C17 167.4(4) 4_475
C16 C17 C18 N4 1.1(8) .
C18 N4 C19 C20 3.3(7) .
Ni1 N4 C19 C20 -168.5(4) 4_475
C17 C16 C20 C19 -3.6(7) .
C15 C16 C20 C19 175.5(5) .
N4 C19 C20 C16 0.6(7) .
Ni1 O3 C21 O4 161.7(3) .
Ni1 O3 C21 C22 -15.2(7) .
O4 C21 C22 C23 130.5(5) .
O3 C21 C22 C23 -52.4(6) .
O4 C21 C22 C27 -50.4(6) .
O3 C21 C22 C27 126.7(5) .
C27 C22 C23 C24 -2.0(6) .
C21 C22 C23 C24 177.1(4) .
C27 C22 C23 C28 177.9(4) .
C21 C22 C23 C28 -3.0(6) .
C22 C23 C24 C25 -0.2(7) .
C28 C23 C24 C25 180.0(4) .
C23 C24 C25 C26 2.4(7) .
C24 C25 C26 C27 -2.3(8) .
C25 C26 C27 C22 0.1(8) .
C23 C22 C27 C26 2.1(7) .
C21 C22 C27 C26 -177.1(4) .
C22 C23 C28 C29 112.6(5) .
C24 C23 C28 C29 -67.5(5) .
Ni1 O5 C29 O6 -169.5(3) .
Ni1 O5 C29 C28 8.6(7) .
Ni1 O6 C29 O5 -10.0(7) 2_646
Ni1 O6 C29 C28 171.8(3) 2_646
C23 C28 C29 O5 -81.0(5) .
C23 C28 C29 O6 97.2(5) .
