#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:53:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180403 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/72/7207233.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_7207233
loop_
_publ_author_name
'Li, Xiao-Zeng'
'Hao, Peng-Peng'
'Wang, Dan'
'Zhang, Wen-Qin'
'Zhu, Li-Na'
_publ_section_title
;
 New metalloligands suitable for the construction of polynuclear complexes
 and coordination polymers with exposed metal sites
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              366
_journal_paper_doi               10.1039/c1ce06273e
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C52 H38 Cd2 N8 Ni2 O15'
_chemical_formula_weight         1357.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 96.522(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3958(17)
_cell_length_b                   18.9334(17)
_cell_length_c                   22.595(3)
_cell_measurement_reflns_used    7563
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.77
_cell_measurement_theta_min      2.33
_cell_volume                     4843.6(11)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11760
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    1.715
_exptl_absorpt_correction_T_max  0.8078
_exptl_absorpt_correction_T_min  0.7592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.851
_refine_diff_density_min         -1.256
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         4269
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0499
_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)+(0.0106P)²+52.5594P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.1032
_reflns_number_gt                3611
_reflns_number_total             4269
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce06273e.txt
_cod_data_source_block           compound_6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4843.5(11)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7207233
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
Cd1 Cd 0.45143(4) 1.11268(2) 0.62137(3) 0.0640(2) Uani 1 1 d .
Ni1 Ni 0.38763(6) 0.73906(3) 0.63730(3) 0.03294(17) Uani 1 1 d .
O1 O 0.3894(3) 1.00331(18) 0.63119(19) 0.0451(10) Uani 1 1 d .
O2 O 0.5133(3) 0.9702(2) 0.56683(19) 0.0466(10) Uani 1 1 d .
O3 O 0.0478(3) 0.7174(2) 0.6164(2) 0.0558(12) Uani 1 1 d .
O4 O 0.1497(4) 0.5929(2) 0.6484(2) 0.0513(11) Uani 1 1 d .
O5 O 0.7796(6) 0.6268(3) 0.7155(3) 0.121(3) Uani 1 1 d U
O6 O 0.7701(4) 0.6612(3) 0.6218(3) 0.087(2) Uani 1 1 d .
O7 O 0.4262(5) 1.1178(3) 0.5202(3) 0.0930(19) Uani 1 1 d D
H7' H 0.4460 1.0868 0.4961 0.140 Uiso 1 1 d R
N1 N 0.4382(3) 0.8338(2) 0.63435(19) 0.0310(9) Uani 1 1 d .
N2 N 0.2346(4) 0.7599(2) 0.6032(2) 0.0378(11) Uani 1 1 d .
N3 N 0.3340(4) 0.6463(2) 0.6468(2) 0.0366(11) Uani 1 1 d .
N4 N 0.5432(4) 0.7187(2) 0.6680(2) 0.0340(10) Uani 1 1 d .
C1 C 0.3857(4) 0.8847(3) 0.6023(2) 0.0348(12) Uani 1 1 d .
C2 C 0.2733(5) 0.8767(3) 0.5646(3) 0.0376(12) Uani 1 1 d .
C3 C 0.1980(5) 0.8178(3) 0.5673(3) 0.0383(13) Uani 1 1 d .
C4 C 0.0899(5) 0.8181(4) 0.5308(3) 0.0529(16) Uani 1 1 d .
H4 H 0.0398 0.7794 0.5315 0.063 Uiso 1 1 calc R
C5 C 0.0562(6) 0.8734(4) 0.4942(3) 0.0566(17) Uani 1 1 d .
H5 H -0.0162 0.8719 0.4707 0.068 Uiso 1 1 calc R
C6 C 0.1285(6) 0.9316(4) 0.4917(3) 0.0556(17) Uani 1 1 d .
H6 H 0.1049 0.9697 0.4672 0.067 Uiso 1 1 calc R
C7 C 0.2351(5) 0.9321(3) 0.5259(3) 0.0496(15) Uani 1 1 d .
H7 H 0.2846 0.9708 0.5234 0.060 Uiso 1 1 calc R
C8 C 0.1577(5) 0.7123(3) 0.6194(3) 0.0403(13) Uani 1 1 d .
C9 C 0.2154(5) 0.6434(3) 0.6417(3) 0.0389(13) Uani 1 1 d .
C10 C 0.4052(5) 0.5859(3) 0.6547(3) 0.0403(13) Uani 1 1 d .
C11 C 0.5295(5) 0.5916(3) 0.6547(2) 0.0372(12) Uani 1 1 d .
C12 C 0.5961(6) 0.5291(3) 0.6506(3) 0.0465(15) Uani 1 1 d .
H12 H 0.6768 0.5325 0.6482 0.056 Uiso 1 1 calc R
C13 C 0.5446(6) 0.4643(3) 0.6500(3) 0.0579(18) Uani 1 1 d .
H13 H 0.5896 0.4241 0.6455 0.069 Uiso 1 1 calc R
C14 C 0.4272(6) 0.4579(3) 0.6559(4) 0.066(2) Uani 1 1 d .
H14 H 0.3937 0.4134 0.6585 0.079 Uiso 1 1 calc R
C15 C 0.3581(6) 0.5177(3) 0.6582(4) 0.060(2) Uani 1 1 d .
H15 H 0.2781 0.5126 0.6621 0.072 Uiso 1 1 calc R
C16 C 0.7280(6) 0.6493(4) 0.6671(4) 0.065(2) Uani 1 1 d .
C17 C 0.5940(5) 0.6575(3) 0.6637(2) 0.0361(12) Uani 1 1 d .
C18 C 0.6040(4) 0.7807(3) 0.6899(2) 0.0353(12) Uani 1 1 d .
C19 C 0.5447(4) 0.8441(3) 0.6739(2) 0.0348(12) Uani 1 1 d .
C20 C 0.5882(5) 0.9069(3) 0.6987(3) 0.0430(14) Uani 1 1 d .
H20 H 0.5484 0.9490 0.6889 0.052 Uiso 1 1 calc R
C21 C 0.6899(5) 0.9078(3) 0.7381(3) 0.0496(15) Uani 1 1 d .
H21 H 0.7183 0.9502 0.7549 0.060 Uiso 1 1 calc R
C22 C 0.7495(6) 0.8457(4) 0.7524(3) 0.0558(17) Uani 1 1 d .
H22 H 0.8198 0.8466 0.7777 0.067 Uiso 1 1 calc R
C23 C 0.7059(5) 0.7821(3) 0.7296(3) 0.0494(15) Uani 1 1 d .
H23 H 0.7450 0.7403 0.7408 0.059 Uiso 1 1 calc R
C24 C 0.4368(5) 0.9592(3) 0.6002(3) 0.0391(13) Uani 1 1 d .
C25 C 0.3620(7) 1.1723(4) 0.4853(4) 0.092(3) Uani 1 1 d D
H25A H 0.4124 1.1926 0.4579 0.110 Uiso 1 1 calc R
H25B H 0.3404 1.2095 0.5114 0.110 Uiso 1 1 calc R
C26 C 0.2534(8) 1.1430(6) 0.4510(5) 0.127(4) Uani 1 1 d DU
H26A H 0.2751 1.1086 0.4230 0.191 Uiso 1 1 calc R
H26B H 0.2099 1.1805 0.4299 0.191 Uiso 1 1 calc R
H26C H 0.2051 1.1211 0.4779 0.191 Uiso 1 1 calc R
O8 O 0.0000 0.5932(7) 0.7500 0.159(5) Uani 1 2 d S
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'
Cd Cd -0.8075 1.2024 '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 Cd1 O6 94.46(16) . 3_455
O1 Cd1 O7 97.79(19) . .
O6 Cd1 O7 88.6(2) 3_455 .
O1 Cd1 O3 169.80(15) . 3
O6 Cd1 O3 95.30(16) 3_455 3
O7 Cd1 O3 85.4(2) . 3
O1 Cd1 O4 97.85(14) . 3
O6 Cd1 O4 159.0(2) 3_455 3
O7 Cd1 O4 106.40(19) . 3
O3 Cd1 O4 71.95(14) 3 3
N2 Ni1 N4 177.3(2) . .
N2 Ni1 N3 86.76(19) . .
N4 Ni1 N3 94.16(19) . .
N2 Ni1 N1 93.40(18) . .
N4 Ni1 N1 85.90(18) . .
N3 Ni1 N1 175.11(19) . .
C24 O1 Cd1 114.0(4) . .
C8 O3 Cd1 114.6(4) . 3_445
C9 O4 Cd1 115.6(4) . 3_445
C16 O6 Cd1 112.3(5) . 3_545
C25 O7 Cd1 125.3(5) . .
C25 O7 H7' 107.3 . .
Cd1 O7 H7' 127.2 . .
C1 N1 C19 123.1(4) . .
C1 N1 Ni1 126.7(4) . .
C19 N1 Ni1 110.3(3) . .
C8 N2 C3 121.7(5) . .
C8 N2 Ni1 110.8(4) . .
C3 N2 Ni1 127.4(3) . .
C9 N3 C10 122.6(4) . .
C9 N3 Ni1 111.5(4) . .
C10 N3 Ni1 125.8(3) . .
C17 N4 C18 123.7(4) . .
C17 N4 Ni1 124.5(4) . .
C18 N4 Ni1 111.4(3) . .
N1 C1 C2 124.1(5) . .
N1 C1 C24 123.0(5) . .
C2 C1 C24 112.9(5) . .
C7 C2 C3 118.1(5) . .
C7 C2 C1 118.3(5) . .
C3 C2 C1 123.5(5) . .
N2 C3 C4 121.9(5) . .
N2 C3 C2 120.1(5) . .
C4 C3 C2 117.9(5) . .
C5 C4 C3 121.9(6) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C4 C5 C6 120.7(6) . .
C4 C5 H5 119.7 . .
C6 C5 H5 119.7 . .
C7 C6 C5 118.6(6) . .
C7 C6 H6 120.7 . .
C5 C6 H6 120.7 . .
C6 C7 C2 122.8(6) . .
C6 C7 H7 118.6 . .
C2 C7 H7 118.6 . .
O3 C8 N2 128.1(5) . .
O3 C8 C9 118.5(5) . .
N2 C8 C9 113.3(5) . .
O4 C9 N3 129.8(5) . .
O4 C9 C8 117.3(5) . .
N3 C9 C8 112.7(4) . .
N3 C10 C15 122.5(5) . .
N3 C10 C11 120.1(5) . .
C15 C10 C11 117.2(5) . .
C12 C11 C10 118.6(5) . .
C12 C11 C17 117.4(5) . .
C10 C11 C17 123.7(5) . .
C13 C12 C11 121.4(6) . .
C13 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
C12 C13 C14 120.4(6) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C13 C14 C15 119.9(6) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C14 C15 C10 121.8(6) . .
C14 C15 H15 119.1 . .
C10 C15 H15 119.1 . .
O6 C16 O5 127.9(8) . .
O6 C16 C17 115.6(7) . .
O5 C16 C17 116.3(9) . .
N4 C17 C11 123.5(5) . .
N4 C17 C16 122.4(5) . .
C11 C17 C16 114.1(5) . .
C23 C18 C19 119.6(5) . .
C23 C18 N4 125.6(5) . .
C19 C18 N4 114.4(5) . .
C20 C19 C18 119.3(5) . .
C20 C19 N1 127.4(5) . .
C18 C19 N1 113.2(5) . .
C21 C20 C19 120.6(6) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C22 C21 C20 119.8(6) . .
C22 C21 H21 120.1 . .
C20 C21 H21 120.1 . .
C21 C22 C23 120.6(6) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C22 C23 C18 120.0(6) . .
C22 C23 H23 120.0 . .
C18 C23 H23 120.0 . .
O2 C24 O1 127.6(5) . .
O2 C24 C1 118.2(5) . .
O1 C24 C1 114.1(5) . .
O7 C25 C26 111.0(8) . .
O7 C25 H25A 109.4 . .
C26 C25 H25A 109.4 . .
O7 C25 H25B 109.4 . .
C26 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.208(4) .
Cd1 O6 2.262(5) 3_455
Cd1 O7 2.273(6) .
Cd1 O3 2.276(4) 3
Cd1 O4 2.303(4) 3
Ni1 N2 1.867(4) .
Ni1 N4 1.868(4) .
Ni1 N3 1.880(4) .
Ni1 N1 1.888(4) .
O1 C24 1.251(7) .
O2 C24 1.233(7) .
O3 C8 1.250(6) .
O3 Cd1 2.276(4) 3_445
O4 C9 1.234(6) .
O4 Cd1 2.303(4) 3_445
O5 C16 1.256(10) .
O6 C16 1.201(10) .
O6 Cd1 2.262(5) 3_545
O7 C25 1.446(7) .
O7 H7' 0.8492 .
N1 C1 1.309(7) .
N1 C19 1.436(7) .
N2 C8 1.337(7) .
N2 C3 1.400(7) .
N3 C9 1.344(7) .
N3 C10 1.402(7) .
N4 C17 1.305(7) .
N4 C18 1.423(7) .
C1 C2 1.463(8) .
C1 C24 1.529(7) .
C2 C7 1.403(8) .
C2 C3 1.413(7) .
C3 C4 1.403(8) .
C4 C5 1.361(9) .
C4 H4 0.9300 .
C5 C6 1.382(9) .
C5 H5 0.9300 .
C6 C7 1.364(9) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.521(8) .
C10 C15 1.405(8) .
C10 C11 1.420(8) .
C11 C12 1.414(8) .
C11 C17 1.451(7) .
C12 C13 1.359(9) .
C12 H12 0.9300 .
C13 C14 1.365(9) .
C13 H13 0.9300 .
C14 C15 1.383(8) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.528(8) .
C18 C23 1.384(8) .
C18 C19 1.406(7) .
C19 C20 1.384(7) .
C20 C21 1.379(8) .
C20 H20 0.9300 .
C21 C22 1.378(9) .
C21 H21 0.9300 .
C22 C23 1.380(9) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C25 C26 1.491(8) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
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
O6 Cd1 O1 C24 139.6(4) 3_455
O7 Cd1 O1 C24 50.5(4) .
O3 Cd1 O1 C24 -57.4(11) 3
O4 Cd1 O1 C24 -57.4(4) 3
O1 Cd1 O7 C25 128.0(6) .
O6 Cd1 O7 C25 33.7(6) 3_455
O3 Cd1 O7 C25 -61.7(6) 3
O4 Cd1 O7 C25 -131.4(6) 3
N2 Ni1 N1 C1 -16.9(5) .
N4 Ni1 N1 C1 160.5(5) .
N3 Ni1 N1 C1 -109(2) .
N2 Ni1 N1 C19 162.2(3) .
N4 Ni1 N1 C19 -20.3(3) .
N3 Ni1 N1 C19 71(2) .
N4 Ni1 N2 C8 131(4) .
N3 Ni1 N2 C8 20.7(4) .
N1 Ni1 N2 C8 -154.4(4) .
N4 Ni1 N2 C3 -52(4) .
N3 Ni1 N2 C3 -161.8(5) .
N1 Ni1 N2 C3 23.1(5) .
N2 Ni1 N3 C9 -16.9(4) .
N4 Ni1 N3 C9 165.6(4) .
N1 Ni1 N3 C9 75(2) .
N2 Ni1 N3 C10 159.4(5) .
N4 Ni1 N3 C10 -18.1(5) .
N1 Ni1 N3 C10 -109(2) .
N2 Ni1 N4 C17 -80(4) .
N3 Ni1 N4 C17 30.3(5) .
N1 Ni1 N4 C17 -154.6(5) .
N2 Ni1 N4 C18 93(4) .
N3 Ni1 N4 C18 -157.1(4) .
N1 Ni1 N4 C18 18.0(4) .
C19 N1 C1 C2 -176.0(5) .
Ni1 N1 C1 C2 3.1(8) .
C19 N1 C1 C24 4.4(8) .
Ni1 N1 C1 C24 -176.6(4) .
N1 C1 C2 C7 -170.8(5) .
C24 C1 C2 C7 8.9(7) .
N1 C1 C2 C3 12.6(9) .
C24 C1 C2 C3 -167.7(5) .
C8 N2 C3 C4 -21.3(8) .
Ni1 N2 C3 C4 161.5(5) .
C8 N2 C3 C2 162.1(5) .
Ni1 N2 C3 C2 -15.0(8) .
C7 C2 C3 N2 177.0(5) .
C1 C2 C3 N2 -6.3(8) .
C7 C2 C3 C4 0.3(8) .
C1 C2 C3 C4 177.0(5) .
N2 C3 C4 C5 -177.6(6) .
C2 C3 C4 C5 -0.9(10) .
C3 C4 C5 C6 0.2(11) .
C4 C5 C6 C7 1.0(11) .
C5 C6 C7 C2 -1.6(11) .
C3 C2 C7 C6 0.9(9) .
C1 C2 C7 C6 -175.9(6) .
Cd1 O3 C8 N2 161.6(5) 3_445
Cd1 O3 C8 C9 -15.8(7) 3_445
C3 N2 C8 O3 -15.0(10) .
Ni1 N2 C8 O3 162.6(5) .
C3 N2 C8 C9 162.6(5) .
Ni1 N2 C8 C9 -19.8(6) .
Cd1 O4 C9 N3 -171.7(5) 3_445
Cd1 O4 C9 C8 2.7(7) 3_445
C10 N3 C9 O4 7.9(10) .
Ni1 N3 C9 O4 -175.6(5) .
C10 N3 C9 C8 -166.7(5) .
Ni1 N3 C9 C8 9.8(6) .
O3 C8 C9 O4 9.1(8) .
N2 C8 C9 O4 -168.7(5) .
O3 C8 C9 N3 -175.5(5) .
N2 C8 C9 N3 6.7(7) .
C9 N3 C10 C15 -0.4(9) .
Ni1 N3 C10 C15 -176.3(5) .
C9 N3 C10 C11 174.6(5) .
Ni1 N3 C10 C11 -1.4(8) .
N3 C10 C11 C12 -167.3(5) .
C15 C10 C11 C12 7.9(9) .
N3 C10 C11 C17 18.0(9) .
C15 C10 C11 C17 -166.8(6) .
C10 C11 C12 C13 -3.8(9) .
C17 C11 C12 C13 171.3(6) .
C11 C12 C13 C14 -2.7(11) .
C12 C13 C14 C15 4.8(12) .
C13 C14 C15 C10 -0.2(12) .
N3 C10 C15 C14 169.0(7) .
C11 C10 C15 C14 -6.1(11) .
Cd1 O6 C16 O5 15.0(10) 3_545
Cd1 O6 C16 C17 -160.2(4) 3_545
C18 N4 C17 C11 165.2(5) .
Ni1 N4 C17 C11 -23.1(8) .
C18 N4 C17 C16 -15.6(9) .
Ni1 N4 C17 C16 156.2(5) .
C12 C11 C17 N4 179.6(5) .
C10 C11 C17 N4 -5.6(9) .
C12 C11 C17 C16 0.3(8) .
C10 C11 C17 C16 175.1(6) .
O6 C16 C17 N4 -81.5(8) .
O5 C16 C17 N4 102.7(7) .
O6 C16 C17 C11 97.8(7) .
O5 C16 C17 C11 -77.9(7) .
C17 N4 C18 C23 -26.6(8) .
Ni1 N4 C18 C23 160.7(5) .
C17 N4 C18 C19 160.9(5) .
Ni1 N4 C18 C19 -11.8(6) .
C23 C18 C19 C20 -1.0(8) .
N4 C18 C19 C20 172.0(5) .
C23 C18 C19 N1 -177.6(5) .
N4 C18 C19 N1 -4.6(6) .
C1 N1 C19 C20 21.5(8) .
Ni1 N1 C19 C20 -157.7(5) .
C1 N1 C19 C18 -162.2(5) .
Ni1 N1 C19 C18 18.6(5) .
C18 C19 C20 C21 1.2(8) .
N1 C19 C20 C21 177.3(5) .
C19 C20 C21 C22 0.6(9) .
C20 C21 C22 C23 -2.6(10) .
C21 C22 C23 C18 2.7(10) .
C19 C18 C23 C22 -0.9(9) .
N4 C18 C23 C22 -173.1(6) .
Cd1 O1 C24 O2 1.5(8) .
Cd1 O1 C24 C1 -174.5(3) .
N1 C1 C24 O2 81.8(7) .
C2 C1 C24 O2 -97.9(6) .
N1 C1 C24 O1 -101.9(6) .
C2 C1 C24 O1 78.4(6) .
Cd1 O7 C25 C26 -113.4(8) .
