#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:56:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180523 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/92/7219261.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_7219261
loop_
_publ_author_name
'Kang, Meng'
'Yang, Guo-Ping'
'Hou, Lei'
'Wu, Wei-Ping'
'Wu, Yun-Long'
'Wang, Yao-Yu'
_publ_section_title
;
 Peculiar phenomena of structural transformations triggered from a nickel
 coordination polymer
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1839
_journal_paper_doi               10.1039/C4CE02333A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C30 H20 N3 Ni O6'
_chemical_formula_weight         577.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-04-23 deposited with the CCDC.
2015-01-12 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.229(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.331(3)
_cell_length_b                   33.859(7)
_cell_length_c                   10.827(2)
_cell_measurement_temperature    296(2)
_cell_volume                     5447.8(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13351
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.761
_exptl_absorpt_correction_T_max  0.8385
_exptl_absorpt_correction_T_min  0.8039
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2376
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.972
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0553
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1791P)²+6.2825P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1783
_refine_ls_wR_factor_ref         0.2238
_reflns_number_gt                4061
_reflns_number_total             4820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce02333a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7219261--7219264.cif.'
_cod_original_cell_volume        5447.5(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7219261
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C18 C 0.4911(2) 0.26673(11) 0.4631(4) 0.0305(8) Uani 1 1 d . . .
C19 C 0.4720(3) 0.29377(14) 0.5474(5) 0.0509(12) Uani 1 1 d . . .
H19 H 0.4160 0.2936 0.5663 0.061 Uiso 1 1 calc R . .
O5 O 1.1695(2) 0.32897(10) 1.0243(4) 0.0598(10) Uani 1 1 d . . .
O4 O 1.21294(18) 0.37986(8) 0.9212(3) 0.0398(7) Uani 1 1 d . . .
C15 C 1.1623(3) 0.36343(12) 0.9816(4) 0.0355(9) Uani 1 1 d . . .
C12 C 1.0830(2) 0.38853(12) 0.9964(4) 0.0334(8) Uani 1 1 d . . .
C11 C 1.0612(3) 0.42313(13) 0.9277(4) 0.0436(10) Uani 1 1 d . . .
H11 H 1.0972 0.4320 0.8757 0.052 Uiso 1 1 calc R . .
C10 C 0.9852(3) 0.44489(14) 0.9358(5) 0.0493(11) Uani 1 1 d . . .
H10 H 0.9715 0.4684 0.8905 0.059 Uiso 1 1 calc R . .
C9 C 0.9305(3) 0.43135(12) 1.0116(4) 0.0376(9) Uani 1 1 d . . .
C8 C 0.8450(3) 0.45344(13) 1.0128(4) 0.0447(10) Uani 1 1 d . . .
Ni1 Ni 0.70663(3) 0.363918(12) 0.68984(4) 0.0241(2) Uani 1 1 d . . .
C21 C 0.4243(2) 0.23738(11) 0.3998(4) 0.0308(8) Uani 1 1 d . . .
O2 O 0.76822(17) 0.40079(8) 0.8446(3) 0.0338(6) Uani 1 1 d . . .
C1 C 0.7144(3) 0.38875(13) 0.9073(4) 0.0399(10) Uani 1 1 d . . .
C2 C 0.7244(3) 0.40372(17) 1.0405(5) 0.0562(13) Uani 1 1 d . . .
C7 C 0.6727(4) 0.3871(3) 1.1180(6) 0.089(2) Uani 1 1 d . . .
H7 H 0.6332 0.3666 1.0869 0.106 Uiso 1 1 calc R . .
C3 C 0.7840(3) 0.43446(15) 1.0887(4) 0.0496(11) Uani 1 1 d . . .
C5 C 0.7369(5) 0.4326(3) 1.2838(6) 0.096(3) Uani 1 1 d . . .
H5 H 0.7410 0.4428 1.3648 0.115 Uiso 1 1 calc R . .
C4 C 0.7878(3) 0.44903(18) 1.2075(5) 0.0637(15) Uani 1 1 d . . .
H4 H 0.8252 0.4704 1.2377 0.076 Uiso 1 1 calc R . .
C6 C 0.6802(5) 0.4011(3) 1.2409(7) 0.116(3) Uani 1 1 d . . .
H6 H 0.6476 0.3896 1.2933 0.140 Uiso 1 1 calc R . .
O1 O 0.6529(2) 0.36390(8) 0.8585(3) 0.0437(8) Uani 1 1 d . . .
C13 C 1.0288(3) 0.37601(13) 1.0754(4) 0.0391(9) Uani 1 1 d . . .
H13 H 1.0434 0.3530 1.1226 0.047 Uiso 1 1 calc R . .
N2 N 0.29675(19) 0.18093(9) 0.2773(3) 0.0298(7) Uani 1 1 d . . .
C23 C 0.3849(2) 0.17206(11) 0.3158(4) 0.0345(9) Uani 1 1 d . . .
H23 H 0.4030 0.1466 0.3022 0.041 Uiso 1 1 calc R . .
C22 C 0.4499(2) 0.19894(11) 0.3745(4) 0.0335(8) Uani 1 1 d . . .
H22 H 0.5102 0.1916 0.3972 0.040 Uiso 1 1 calc R . .
C24 C 0.2727(3) 0.21725(12) 0.3025(4) 0.0393(10) Uani 1 1 d . . .
H24 H 0.2120 0.2238 0.2774 0.047 Uiso 1 1 calc R . .
C17 C 0.5762(3) 0.26864(13) 0.4406(4) 0.0440(10) Uani 1 1 d . . .
H17 H 0.5927 0.2507 0.3853 0.053 Uiso 1 1 calc R . .
C25 C 0.3324(3) 0.24585(12) 0.3638(4) 0.0396(10) Uani 1 1 d . . .
H25 H 0.3114 0.2705 0.3808 0.048 Uiso 1 1 calc R . .
N1 N 0.6176(2) 0.32344(9) 0.5824(3) 0.0278(7) Uani 1 1 d . . .
N3 N 0.6244(2) 0.41379(9) 0.6153(4) 0.0369(8) Uani 1 1 d . . .
C20 C 0.5359(3) 0.32101(14) 0.6038(5) 0.0492(12) Uani 1 1 d . . .
H20 H 0.5211 0.3389 0.6606 0.059 Uiso 1 1 calc R . .
C14 C 0.9540(3) 0.39730(14) 1.0842(4) 0.0427(10) Uani 1 1 d . . .
H14 H 0.9193 0.3889 1.1387 0.051 Uiso 1 1 calc R . .
C16 C 0.6378(3) 0.29756(13) 0.5013(4) 0.0413(10) Uani 1 1 d . . .
H16 H 0.6943 0.2986 0.4841 0.050 Uiso 1 1 calc R . .
O3 O 0.8282(2) 0.48541(11) 0.9629(5) 0.0735(12) Uani 1 1 d . . .
C28 C 0.5273(3) 0.48198(12) 0.5253(5) 0.0488(12) Uani 1 1 d . . .
C30 C 0.6607(4) 0.44644(19) 0.5920(8) 0.088(2) Uani 1 1 d . A .
H30 H 0.7230 0.4467 0.6055 0.105 Uiso 1 1 calc R . .
C29 C 0.6165(4) 0.48027(18) 0.5497(9) 0.099(3) Uani 1 1 d . A .
H29 H 0.6489 0.5026 0.5375 0.118 Uiso 1 1 calc R . .
C27 C 0.4915(7) 0.4461(3) 0.4973(16) 0.079(4) Uani 0.50 1 d P A 1
H27A H 0.4334 0.4433 0.4463 0.095 Uiso 0.50 1 calc PR A 1
C26 C 0.5415(7) 0.4133(3) 0.5446(16) 0.073(4) Uani 0.50 1 d P A 1
H26A H 0.5144 0.3888 0.5248 0.087 Uiso 0.50 1 calc PR A 1
C27' C 0.4981(8) 0.4561(4) 0.6164(14) 0.073(4) Uani 0.50 1 d P A 2
H27B H 0.4469 0.4618 0.6445 0.087 Uiso 0.50 1 calc PR A 2
C26' C 0.5494(9) 0.4228(4) 0.6590(16) 0.081(5) Uani 0.50 1 d P A 2
H26B H 0.5330 0.4062 0.7180 0.098 Uiso 0.50 1 calc PR A 2
O1W O 0.1421(10) 0.2972(4) 0.2598(9) 0.290(8) 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
C19 C18 C17 116.7(3) . .
C19 C18 C21 121.4(4) . .
C17 C18 C21 121.9(4) . .
C18 C19 C20 119.8(4) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C15 O4 Ni1 138.0(3) . 2_756
O5 C15 O4 126.4(4) . .
O5 C15 C12 118.8(4) . .
O4 C15 C12 114.7(4) . .
C11 C12 C13 119.0(4) . .
C11 C12 C15 120.6(4) . .
C13 C12 C15 120.3(4) . .
C12 C11 C10 120.5(4) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C9 C10 C11 119.8(4) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C10 C9 C14 119.8(4) . .
C10 C9 C8 119.5(4) . .
C14 C9 C8 120.7(4) . .
O3 C8 C9 122.0(4) . .
O3 C8 C3 121.6(4) . .
C9 C8 C3 116.2(4) . .
O4 Ni1 N1 105.04(13) 2_756 .
O4 Ni1 N2 91.81(12) 2_756 8_556
N1 Ni1 N2 92.52(13) . 8_556
O4 Ni1 O2 95.51(12) 2_756 .
N1 Ni1 O2 159.45(12) . .
N2 Ni1 O2 87.36(11) 8_556 .
O4 Ni1 N3 87.35(12) 2_756 .
N1 Ni1 N3 93.69(12) . .
N2 Ni1 N3 173.74(12) 8_556 .
O2 Ni1 N3 86.55(12) . .
O4 Ni1 O1 157.07(12) 2_756 .
N1 Ni1 O1 97.88(12) . .
N2 Ni1 O1 87.96(13) 8_556 .
O2 Ni1 O1 61.57(11) . .
N3 Ni1 O1 90.40(13) . .
C25 C21 C22 116.5(3) . .
C25 C21 C18 122.1(3) . .
C22 C21 C18 121.4(3) . .
C1 O2 Ni1 90.7(2) . .
O2 C1 O1 120.3(4) . .
O2 C1 C2 118.9(4) . .
O1 C1 C2 120.8(4) . .
C3 C2 C7 119.2(5) . .
C3 C2 C1 120.9(4) . .
C7 C2 C1 119.9(5) . .
C6 C7 C2 120.5(7) . .
C6 C7 H7 119.7 . .
C2 C7 H7 119.7 . .
C4 C3 C2 119.5(5) . .
C4 C3 C8 117.7(5) . .
C2 C3 C8 122.8(4) . .
C6 C5 C4 120.6(5) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C3 C4 C5 121.1(6) . .
C3 C4 H4 119.4 . .
C5 C4 H4 119.4 . .
C5 C6 C7 118.9(7) . .
C5 C6 H6 120.6 . .
C7 C6 H6 120.6 . .
C1 O1 Ni1 87.4(2) . .
C14 C13 C12 120.9(4) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C24 N2 C23 116.7(3) . .
C24 N2 Ni1 124.9(2) . 8_455
C23 N2 Ni1 118.3(2) . 8_455
N2 C23 C22 123.4(3) . .
N2 C23 H23 118.3 . .
C22 C23 H23 118.3 . .
C23 C22 C21 119.6(3) . .
C23 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
N2 C24 C25 124.1(4) . .
N2 C24 H24 118.0 . .
C25 C24 H24 118.0 . .
C18 C17 C16 120.2(4) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C24 C25 C21 119.6(4) . .
C24 C25 H25 120.2 . .
C21 C25 H25 120.2 . .
C20 N1 C16 117.1(3) . .
C20 N1 Ni1 117.4(3) . .
C16 N1 Ni1 125.2(3) . .
C30 N3 C26 107.3(6) . .
C30 N3 C26' 108.3(7) . .
C26 N3 C26' 55.6(8) . .
C30 N3 Ni1 120.4(3) . .
C26 N3 Ni1 127.3(4) . .
C26' N3 Ni1 120.5(5) . .
N1 C20 C19 124.2(4) . .
N1 C20 H20 117.9 . .
C19 C20 H20 117.9 . .
C13 C14 C9 119.9(4) . .
C13 C14 H14 120.0 . .
C9 C14 H14 120.0 . .
N1 C16 C17 121.9(3) . .
N1 C16 H16 119.0 . .
C17 C16 H16 119.0 . .
C29 C28 C27 110.5(6) . .
C29 C28 C27' 108.0(6) . .
C27 C28 C27' 55.5(8) . .
C29 C28 C28 124.1(5) . 5_666
C27 C28 C28 119.7(6) . 5_666
C27' C28 C28 119.7(6) . 5_666
N3 C30 C29 126.0(5) . .
N3 C30 H30 117.0 . .
C29 C30 H30 117.0 . .
C28 C29 C30 120.6(6) . .
C28 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
C28 C27 C26 119.3(8) . .
C28 C27 H27A 120.3 . .
C26 C27 H27A 120.3 . .
N3 C26 C27 125.4(8) . .
N3 C26 H26A 117.3 . .
C27 C26 H26A 117.3 . .
C26' C27' C28 117.8(9) . .
C26' C27' H27B 121.1 . .
C28 C27' H27B 121.1 . .
N3 C26' C27' 121.2(10) . .
N3 C26' H26B 119.4 . .
C27' C26' H26B 119.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C18 C19 1.375(6) .
C18 C17 1.386(5) .
C18 C21 1.470(5) .
C19 C20 1.375(6) .
C19 H19 0.9300 .
O5 C15 1.250(5) .
O4 C15 1.261(5) .
O4 Ni1 1.997(3) 2_756
C15 C12 1.523(5) .
C12 C11 1.384(6) .
C12 C13 1.396(6) .
C11 C10 1.398(6) .
C11 H11 0.9300 .
C10 C9 1.388(6) .
C10 H10 0.9300 .
C9 C14 1.392(6) .
C9 C8 1.512(6) .
C8 O3 1.209(6) .
C8 C3 1.530(7) .
Ni1 O4 1.997(3) 2_756
Ni1 N1 2.077(3) .
Ni1 N2 2.114(3) 8_556
Ni1 O2 2.117(3) .
Ni1 N3 2.143(3) .
Ni1 O1 2.179(3) .
C21 C25 1.395(5) .
C21 C22 1.406(5) .
O2 C1 1.259(5) .
C1 O1 1.277(5) .
C1 C2 1.500(6) .
C2 C3 1.398(7) .
C2 C7 1.406(8) .
C7 C6 1.391(9) .
C7 H7 0.9300 .
C3 C4 1.366(7) .
C5 C6 1.381(11) .
C5 C4 1.384(10) .
C5 H5 0.9300 .
C4 H4 0.9300 .
C6 H6 0.9300 .
C13 C14 1.378(6) .
C13 H13 0.9300 .
N2 C24 1.331(5) .
N2 C23 1.347(5) .
N2 Ni1 2.114(3) 8_455
C23 C22 1.383(5) .
C23 H23 0.9300 .
C22 H22 0.9300 .
C24 C25 1.385(6) .
C24 H24 0.9300 .
C17 C16 1.406(6) .
C17 H17 0.9300 .
C25 H25 0.9300 .
N1 C20 1.330(5) .
N1 C16 1.330(5) .
N3 C30 1.291(7) .
N3 C26 1.312(10) .
N3 C26' 1.379(12) .
C20 H20 0.9300 .
C14 H14 0.9300 .
C16 H16 0.9300 .
C28 C29 1.330(7) .
C28 C27 1.336(11) .
C28 C27' 1.469(13) .
C28 C28 1.504(8) 5_666
C30 C29 1.352(8) .
C30 H30 0.9300 .
C29 H29 0.9300 .
C27 C26 1.373(14) .
C27 H27A 0.9300 .
C26 H26A 0.9300 .
C27' C26' 1.388(14) .
C27' H27B 0.9300 .
C26' H26B 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
C17 C18 C19 C20 0.4(7) .
C21 C18 C19 C20 -179.4(5) .
Ni1 O4 C15 O5 26.2(7) 2_756
Ni1 O4 C15 C12 -150.8(3) 2_756
O5 C15 C12 C11 -165.8(4) .
O4 C15 C12 C11 11.4(5) .
O5 C15 C12 C13 11.2(6) .
O4 C15 C12 C13 -171.5(4) .
C13 C12 C11 C10 -0.9(7) .
C15 C12 C11 C10 176.2(4) .
C12 C11 C10 C9 -1.1(7) .
C11 C10 C9 C14 3.3(7) .
C11 C10 C9 C8 -175.7(4) .
C10 C9 C8 O3 -9.8(7) .
C14 C9 C8 O3 171.2(4) .
C10 C9 C8 C3 174.3(4) .
C14 C9 C8 C3 -4.7(6) .
C19 C18 C21 C25 34.8(7) .
C17 C18 C21 C25 -145.0(5) .
C19 C18 C21 C22 -144.1(5) .
C17 C18 C21 C22 36.1(6) .
O4 Ni1 O2 C1 -179.8(2) 2_756
N1 Ni1 O2 C1 1.9(5) .
N2 Ni1 O2 C1 -88.2(3) 8_556
N3 Ni1 O2 C1 93.2(3) .
O1 Ni1 O2 C1 0.9(2) .
Ni1 O2 C1 O1 -1.5(4) .
Ni1 O2 C1 C2 177.8(4) .
O2 C1 C2 C3 8.7(7) .
O1 C1 C2 C3 -172.0(4) .
O2 C1 C2 C7 -172.0(5) .
O1 C1 C2 C7 7.3(8) .
C3 C2 C7 C6 0.4(11) .
C1 C2 C7 C6 -178.9(7) .
C7 C2 C3 C4 -3.1(8) .
C1 C2 C3 C4 176.2(5) .
C7 C2 C3 C8 178.0(5) .
C1 C2 C3 C8 -2.7(7) .
O3 C8 C3 C4 -75.3(6) .
C9 C8 C3 C4 100.5(5) .
O3 C8 C3 C2 103.5(6) .
C9 C8 C3 C2 -80.6(5) .
C2 C3 C4 C5 3.3(8) .
C8 C3 C4 C5 -177.8(5) .
C6 C5 C4 C3 -0.6(11) .
C4 C5 C6 C7 -2.2(13) .
C2 C7 C6 C5 2.3(13) .
O2 C1 O1 Ni1 1.5(4) .
C2 C1 O1 Ni1 -177.8(4) .
O4 Ni1 O1 C1 -2.6(4) 2_756
N1 Ni1 O1 C1 179.5(2) .
N2 Ni1 O1 C1 87.2(3) 8_556
O2 Ni1 O1 C1 -0.9(2) .
N3 Ni1 O1 C1 -86.7(3) .
C11 C12 C13 C14 0.7(6) .
C15 C12 C13 C14 -176.4(4) .
C24 N2 C23 C22 -2.5(6) .
Ni1 N2 C23 C22 -179.7(3) 8_455
N2 C23 C22 C21 1.9(7) .
C25 C21 C22 C23 0.5(6) .
C18 C21 C22 C23 179.5(4) .
C23 N2 C24 C25 0.7(7) .
Ni1 N2 C24 C25 177.7(3) 8_455
C19 C18 C17 C16 -0.9(7) .
C21 C18 C17 C16 178.9(4) .
N2 C24 C25 C21 1.7(7) .
C22 C21 C25 C24 -2.2(6) .
C18 C21 C25 C24 178.9(4) .
O4 Ni1 N1 C20 -150.9(3) 2_756
N2 Ni1 N1 C20 116.6(4) 8_556
O2 Ni1 N1 C20 27.4(5) .
N3 Ni1 N1 C20 -62.6(4) .
O1 Ni1 N1 C20 28.3(4) .
O4 Ni1 N1 C16 34.8(4) 2_756
N2 Ni1 N1 C16 -57.8(4) 8_556
O2 Ni1 N1 C16 -147.0(4) .
N3 Ni1 N1 C16 123.0(4) .
O1 Ni1 N1 C16 -146.1(4) .
O4 Ni1 N3 C30 -37.2(5) 2_756
N1 Ni1 N3 C30 -142.1(5) .
N2 Ni1 N3 C30 45.2(14) 8_556
O2 Ni1 N3 C30 58.5(5) .
O1 Ni1 N3 C30 120.0(5) .
O4 Ni1 N3 C26 114.7(10) 2_756
N1 Ni1 N3 C26 9.8(11) .
N2 Ni1 N3 C26 -162.9(14) 8_556
O2 Ni1 N3 C26 -149.6(10) .
O1 Ni1 N3 C26 -88.1(10) .
O4 Ni1 N3 C26' -177.4(10) 2_756
N1 Ni1 N3 C26' 77.7(10) .
N2 Ni1 N3 C26' -95.0(15) 8_556
O2 Ni1 N3 C26' -81.7(10) .
O1 Ni1 N3 C26' -20.3(10) .
C16 N1 C20 C19 -0.2(8) .
Ni1 N1 C20 C19 -175.0(4) .
C18 C19 C20 N1 0.1(9) .
C12 C13 C14 C9 1.5(7) .
C10 C9 C14 C13 -3.5(7) .
C8 C9 C14 C13 175.5(4) .
C20 N1 C16 C17 -0.3(7) .
Ni1 N1 C16 C17 174.0(3) .
C18 C17 C16 N1 0.9(7) .
C26 N3 C30 C29 25.8(13) .
C26' N3 C30 C29 -32.8(13) .
Ni1 N3 C30 C29 -177.3(7) .
C27 C28 C29 C30 -25.4(14) .
C27' C28 C29 C30 33.7(12) .
C28 C28 C29 C30 -178.3(8) 5_666
N3 C30 C29 C28 -1.6(15) .
C29 C28 C27 C26 26.2(19) .
C27' C28 C27 C26 -72.1(15) .
C28 C28 C27 C26 -179.5(13) 5_666
C30 N3 C26 C27 -24(2) .
C26' N3 C26 C27 76.4(17) .
Ni1 N3 C26 C27 -179.0(13) .
C28 C27 C26 N3 -1(3) .
C29 C28 C27' C26' -31.5(17) .
C27 C28 C27' C26' 71.4(14) .
C28 C28 C27' C26' 178.9(12) 5_666
C30 N3 C26' C27' 32.3(19) .
C26 N3 C26' C27' -66.6(15) .
Ni1 N3 C26' C27' 176.7(12) .
C28 C27' C26' N3 -1(2) .
