#------------------------------------------------------------------------------
#$Date: 2016-05-06 04:13:12 +0300 (Fri, 06 May 2016) $
#$Revision: 182682 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/88/7038896.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_7038896
loop_
_publ_author_name
'Wang, Huarui'
'Huang, Chao'
'Han, Yanbing'
'Shao, Zhichao'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Central-metal exchange, improved catalytic activity, photoluminescence
 properties of a new family of d(10) coordination polymers based on the
 5,5'-(1H-2,3,5-triazole-1,4-diyl)diisophthalic acid ligand.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7776
_journal_page_last               7785
_journal_paper_doi               10.1039/c6dt00726k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C48 H38 Cd2 N9 O9'
_chemical_formula_sum            'C48 H38 Cd2 N9 O9'
_chemical_formula_weight         1109.67
_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
_audit_update_record
;
2015-05-29 deposited with the CCDC.
2016-03-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 126.410(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.1439(5)
_cell_length_b                   18.3001(3)
_cell_length_c                   16.0070(3)
_cell_measurement_temperature    160.0(10)
_cell_volume                     5927.6(2)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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      160.0(10)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11990
_diffrn_reflns_theta_full        66.96
_diffrn_reflns_theta_max         66.96
_diffrn_reflns_theta_min         3.67
_exptl_absorpt_coefficient_mu    6.183
_exptl_absorpt_correction_T_max  0.3432
_exptl_absorpt_correction_T_min  0.3070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2228
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.731
_refine_diff_density_min         -1.527
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       0.00025(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         5087
_refine_ls_number_restraints     258
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0933
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1946P)²+23.9906P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2514
_refine_ls_wR_factor_ref         0.2671
_reflns_number_gt                4315
_reflns_number_total             5087
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt00726k2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/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 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7038896--7038900.cif.
;
_cod_original_cell_volume        5927.59(19)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7038896
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
N3 N 0.1312(2) 0.6236(3) 0.3313(3) 0.090(2) Uani 1 1 d GU . .
C20 C 0.0813(2) 0.5878(4) 0.3281(4) 0.124(3) Uani 1 1 d GU . .
H20 H 0.0669 0.5421 0.2969 0.149 Uiso 1 1 calc R . .
C21 C 0.0529(3) 0.6202(5) 0.3715(4) 0.131(4) Uani 1 1 d GU . .
H21 H 0.0195 0.5962 0.3693 0.157 Uiso 1 1 calc R . .
C22 C 0.0745(3) 0.6884(5) 0.4182(5) 0.125(3) Uani 1 1 d GU . .
H22 H 0.0555 0.7101 0.4472 0.151 Uiso 1 1 calc R . .
C23 C 0.1244(3) 0.7243(4) 0.4214(4) 0.123(3) Uani 1 1 d GU . .
H23 H 0.1388 0.7700 0.4526 0.148 Uiso 1 1 calc R . .
C24 C 0.1528(3) 0.6919(3) 0.3780(3) 0.120(3) Uani 1 1 d GU . .
H24 H 0.1862 0.7159 0.3802 0.144 Uiso 1 1 calc R . .
N2 N 0.2788(2) 0.5478(3) 0.4870(3) 0.084(2) Uani 1 1 d GU . .
C15 C 0.2640(2) 0.5421(3) 0.5477(3) 0.106(3) Uani 1 1 d GU . .
H15 H 0.2203 0.5523 0.5206 0.127 Uiso 1 1 calc R . .
C16 C 0.3059(3) 0.5216(3) 0.6541(3) 0.113(3) Uani 1 1 d GU . .
H16 H 0.2901 0.5148 0.6933 0.136 Uiso 1 1 calc R . .
C17 C 0.3735(3) 0.5123(4) 0.6963(3) 0.112(3) Uani 1 1 d GU . .
H17 H 0.4019 0.4962 0.7646 0.134 Uiso 1 1 calc R . .
C18 C 0.4019(2) 0.5265(4) 0.6395(3) 0.115(3) Uani 1 1 d GU . .
H18 H 0.4468 0.5296 0.6697 0.139 Uiso 1 1 calc R . .
C19 C 0.3454(2) 0.5355(3) 0.5215(3) 0.104(3) Uani 1 1 d GU . .
H19 H 0.3548 0.5328 0.4734 0.125 Uiso 1 1 calc R . .
N1 N 0.1262(2) 0.5753(2) 0.1220(3) 0.0632(17) Uani 1 1 d GU . .
C10 C 0.0711(2) 0.5929(3) 0.0800(3) 0.121(3) Uani 1 1 d GU . .
H10 H 0.0605 0.6088 0.1237 0.146 Uiso 1 1 calc R . .
C11 C 0.0177(2) 0.5938(4) -0.0278(3) 0.131(4) Uani 1 1 d GU . .
H11 H -0.0259 0.6038 -0.0541 0.157 Uiso 1 1 calc R . .
C12 C 0.0376(3) 0.5787(4) -0.0866(3) 0.113(3) Uani 1 1 d GU . .
H12 H 0.0079 0.5819 -0.1585 0.135 Uiso 1 1 calc R . .
C13 C 0.0971(3) 0.5601(3) -0.0450(3) 0.105(3) Uani 1 1 d GU . .
H13 H 0.1104 0.5445 -0.0853 0.126 Uiso 1 1 calc R . .
C14 C 0.1423(3) 0.5637(3) 0.0638(3) 0.093(3) Uani 1 1 d GU . .
H14 H 0.1869 0.5569 0.0936 0.112 Uiso 1 1 calc R . .
Cd1 Cd 0.20344(2) 0.56397(2) 0.30386(4) 0.0421(3) Uani 1 1 d . . .
O1 O 0.2525(14) 0.1827(15) 0.4743(19) 0.141(8) Uani 0.50 1 d PU A -1
H1W H 0.2683 0.2255 0.4945 0.211 Uiso 0.50 1 d PR A -1
H2W H 0.2239 0.1720 0.4847 0.211 Uiso 0.50 1 d PR A -1
O2 O 0.2088(3) 0.0977(3) 0.2028(5) 0.0543(14) Uani 1 1 d . . .
O3 O 0.2613(3) 0.1912(3) 0.1938(5) 0.0577(15) Uani 1 1 d . . .
O4 O 0.2210(3) 0.4415(3) 0.2730(5) 0.0532(14) Uani 1 1 d . . .
O5 O 0.1387(3) 0.4584(3) 0.2857(4) 0.0448(12) Uani 1 1 d . . .
N4 N 0.0000 0.2535(4) 0.2500 0.0355(16) Uani 1 2 d S . .
N5 N 0.0267(4) 0.1391(4) 0.2459(9) 0.076(3) Uani 1 1 d . . .
C1 C 0.1729(4) 0.4177(4) 0.2696(5) 0.0383(14) Uani 1 1 d . . .
C2 C 0.1562(3) 0.3374(4) 0.2486(5) 0.0369(14) Uani 1 1 d . . .
C3 C 0.1059(3) 0.3101(4) 0.2528(6) 0.0407(15) Uani 1 1 d . . .
H3 H 0.0823 0.3413 0.2658 0.049 Uiso 1 1 calc R . .
C4 C 0.0915(3) 0.2365(4) 0.2374(6) 0.0430(16) Uani 1 1 d . . .
C5 C 0.1273(4) 0.1895(3) 0.2201(6) 0.0415(15) Uani 1 1 d . . .
H5 H 0.1180 0.1397 0.2114 0.050 Uiso 1 1 calc R . .
C6 C 0.1770(3) 0.2173(4) 0.2159(5) 0.0385(14) Uani 1 1 d . . .
C7 C 0.1916(3) 0.2909(4) 0.2307(5) 0.0387(14) Uani 1 1 d . . .
H7 H 0.2253 0.3092 0.2286 0.046 Uiso 1 1 calc R . .
C8 C 0.2192(4) 0.1647(4) 0.2041(6) 0.0461(17) Uani 1 1 d . . .
C9 C 0.0398(4) 0.2063(4) 0.2432(7) 0.0496(18) 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd 0.1185 4.6533 '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
C20 N3 C24 120.0 . .
C20 N3 Cd1 123.31(8) . .
C24 N3 Cd1 114.59(9) . .
N3 C20 C21 120.0 . .
N3 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C23 120.0 . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C24 C23 C22 120.0 . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 N3 120.0 . .
C23 C24 H24 120.0 . .
N3 C24 H24 120.0 . .
C15 N2 C19 120.8 . .
C15 N2 Cd1 126.01(8) . .
C19 N2 Cd1 112.73(8) . .
N2 C15 C16 127.7 . .
N2 C15 H15 116.2 . .
C16 C15 H15 116.2 . .
C17 C16 C15 115.4 . .
C17 C16 H16 122.3 . .
C15 C16 H16 122.3 . .
C16 C17 C18 124.6 . .
C16 C17 H17 117.7 . .
C18 C17 H17 117.7 . .
C17 C18 C19 109.9 . .
C17 C18 H18 125.1 . .
C19 C18 H18 125.1 . .
N2 C19 C18 119.8 . .
N2 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C10 N1 C14 114.9 . .
C10 N1 Cd1 123.93(8) . .
C14 N1 Cd1 121.18(8) . .
N1 C10 C11 129.9 . .
N1 C10 H10 115.0 . .
C11 C10 H10 115.0 . .
C12 C11 C10 112.0 . .
C12 C11 H11 124.0 . .
C10 C11 H11 124.0 . .
C13 C12 C11 120.3 . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 118.1 . .
C12 C13 H13 120.9 . .
C14 C13 H13 120.9 . .
N1 C14 C13 123.8 . .
N1 C14 H14 118.1 . .
C13 C14 H14 118.1 . .
O2 Cd1 N1 91.59(19) 4 .
O2 Cd1 N3 136.78(18) 4 .
N1 Cd1 N3 91.65(12) . .
O2 Cd1 N2 90.34(19) 4 .
N1 Cd1 N2 177.47(17) . .
N3 Cd1 N2 88.07(11) . .
O2 Cd1 O4 86.73(18) 4 .
N1 Cd1 O4 86.85(19) . .
N3 Cd1 O4 136.48(18) . .
N2 Cd1 O4 91.6(2) . .
O2 Cd1 O5 141.51(17) 4 .
N1 Cd1 O5 85.42(17) . .
N3 Cd1 O5 81.70(17) . .
N2 Cd1 O5 92.05(17) . .
O4 Cd1 O5 54.81(17) . .
O2 Cd1 O3 54.50(18) 4 4
N1 Cd1 O3 87.78(19) . 4
N3 Cd1 O3 82.59(17) . 4
N2 Cd1 O3 94.7(2) . 4
O4 Cd1 O3 140.67(19) . 4
O5 Cd1 O3 162.67(19) . 4
O2 Cd1 C8 27.2(2) 4 4
N1 Cd1 C8 88.3(2) . 4
N3 Cd1 C8 110.0(2) . 4
N2 Cd1 C8 94.2(2) . 4
O4 Cd1 C8 113.4(2) . 4
O5 Cd1 C8 166.9(2) . 4
O3 Cd1 C8 27.4(2) 4 4
O2 Cd1 C1 113.9(2) 4 .
N1 Cd1 C1 84.93(18) . .
N3 Cd1 C1 109.36(19) . .
N2 Cd1 C1 92.80(19) . .
O4 Cd1 C1 27.2(2) . .
O5 Cd1 C1 27.66(19) . .
O3 Cd1 C1 166.13(19) 4 .
C8 Cd1 C1 140.2(2) 4 .
H1W O1 H2W 113.2 . .
C8 O2 Cd1 93.7(4) . 4_545
C8 O3 Cd1 87.5(4) . 4_545
C1 O4 Cd1 92.5(4) . .
C1 O5 Cd1 90.2(4) . .
C9 N4 C9 102.1(8) 2 .
C9 N5 N5 106.3(4) . 2
O4 C1 O5 122.4(6) . .
O4 C1 C2 118.8(6) . .
O5 C1 C2 118.7(6) . .
O4 C1 Cd1 60.4(4) . .
O5 C1 Cd1 62.1(3) . .
C2 C1 Cd1 178.7(5) . .
C7 C2 C3 120.3(6) . .
C7 C2 C1 121.1(6) . .
C3 C2 C1 118.5(6) . .
C4 C3 C2 119.2(6) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 120.8(6) . .
C3 C4 C9 120.4(6) . .
C5 C4 C9 118.8(6) . .
C4 C5 C6 119.4(6) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C7 C6 C5 120.4(6) . .
C7 C6 C8 120.2(6) . .
C5 C6 C8 119.2(6) . .
C6 C7 C2 119.9(6) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
O2 C8 O3 124.0(7) . .
O2 C8 C6 117.7(6) . .
O3 C8 C6 118.3(6) . .
O2 C8 Cd1 59.2(4) . 4_545
O3 C8 Cd1 65.1(4) . 4_545
C6 C8 Cd1 175.3(5) . 4_545
N5 C9 N4 112.7(6) . .
N5 C9 C4 128.4(6) . .
N4 C9 C4 118.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N3 C20 1.3900 .
N3 C24 1.3900 .
N3 Cd1 2.373(3) .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 C22 1.3900 .
C21 H21 0.9300 .
C22 C23 1.3900 .
C22 H22 0.9300 .
C23 C24 1.3900 .
C23 H23 0.9300 .
C24 H24 0.9300 .
N2 C15 1.2332 .
N2 C19 1.4363 .
N2 Cd1 2.383(3) .
C15 C16 1.4213 .
C15 H15 0.9300 .
C16 C17 1.4178 .
C16 H16 0.9300 .
C17 C18 1.4740 .
C17 H17 0.9300 .
C18 C19 1.5586 .
C18 H18 0.9300 .
C19 H19 0.9300 .
N1 C10 1.1714 .
N1 C14 1.2339 .
N1 Cd1 2.362(3) .
C10 C11 1.4251 .
C10 H10 0.9300 .
C11 C12 1.3314 .
C11 H11 0.9300 .
C12 C13 1.2705 .
C12 H12 0.9300 .
C13 C14 1.4060 .
C13 H13 0.9300 .
C14 H14 0.9300 .
Cd1 O2 2.355(5) 4
Cd1 O4 2.392(5) .
Cd1 O5 2.430(5) .
Cd1 O3 2.484(5) 4
Cd1 C8 2.737(7) 4
Cd1 C1 2.749(7) .
O1 H1W 0.8500 .
O1 H2W 0.8500 .
O2 C8 1.252(9) .
O2 Cd1 2.355(5) 4_545
O3 C8 1.261(9) .
O3 Cd1 2.484(5) 4_545
O4 C1 1.256(9) .
O5 C1 1.276(9) .
N4 C9 1.376(8) 2
N4 C9 1.376(8) .
N5 C9 1.281(10) .
N5 N5 1.422(12) 2
C1 C2 1.510(9) .
C2 C7 1.380(10) .
C2 C3 1.398(9) .
C3 C4 1.378(9) .
C3 H3 0.9300 .
C4 C5 1.386(9) .
C4 C9 1.465(9) .
C5 C6 1.388(10) .
C5 H5 0.9300 .
C6 C7 1.380(10) .
C6 C8 1.526(9) .
C7 H7 0.9300 .
C8 Cd1 2.737(7) 4_545
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
O1 H1W O1 0.85 1.91 2.62(5) 140.5 7_556
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
_geom_torsion_site_symmetry_4
C24 N3 C20 C21 0.0 . .
Cd1 N3 C20 C21 162.62(10) . .
N3 C20 C21 C22 0.0 . .
C20 C21 C22 C23 0.0 . .
C21 C22 C23 C24 0.0 . .
C22 C23 C24 N3 0.0 . .
C20 N3 C24 C23 0.0 . .
Cd1 N3 C24 C23 -164.07(9) . .
C19 N2 C15 C16 -1.9 . .
Cd1 N2 C15 C16 169.74(10) . .
N2 C15 C16 C17 5.2 . .
C15 C16 C17 C18 3.7 . .
C16 C17 C18 C19 -12.9 . .
C15 N2 C19 C18 -9.4 . .
Cd1 N2 C19 C18 177.85(9) . .
C17 C18 C19 N2 15.6 . .
C14 N1 C10 C11 9.2 . .
Cd1 N1 C10 C11 -171.81(10) . .
N1 C10 C11 C12 -7.3 . .
C10 C11 C12 C13 5.6 . .
C11 C12 C13 C14 -6.9 . .
C10 N1 C14 C13 -9.7 . .
Cd1 N1 C14 C13 171.31(10) . .
C12 C13 C14 N1 9.1 . .
C10 N1 Cd1 O2 -148.68(19) . 4
C14 N1 Cd1 O2 30.22(18) . 4
C10 N1 Cd1 N3 -11.78(14) . .
C14 N1 Cd1 N3 167.1 . .
C10 N1 Cd1 N2 72(4) . .
C14 N1 Cd1 N2 -109(4) . .
C10 N1 Cd1 O4 124.7(2) . .
C14 N1 Cd1 O4 -56.42(18) . .
C10 N1 Cd1 O5 69.75(18) . .
C14 N1 Cd1 O5 -111.35(16) . .
C10 N1 Cd1 O3 -94.30(19) . 4
C14 N1 Cd1 O3 84.61(17) . 4
C10 N1 Cd1 C8 -121.7(2) . 4
C14 N1 Cd1 C8 57.18(19) . 4
C10 N1 Cd1 C1 97.5(2) . .
C14 N1 Cd1 C1 -83.59(19) . .
C20 N3 Cd1 O2 178.3(2) . 4
C24 N3 Cd1 O2 -18.2(3) . 4
C20 N3 Cd1 N1 84.25(10) . .
C24 N3 Cd1 N1 -112.28(8) . .
C20 N3 Cd1 N2 -93.24(10) . .
C24 N3 Cd1 N2 70.23(10) . .
C20 N3 Cd1 O4 -2.9(3) . .
C24 N3 Cd1 O4 160.6(3) . .
C20 N3 Cd1 O5 -0.88(16) . .
C24 N3 Cd1 O5 162.59(15) . .
C20 N3 Cd1 O3 171.79(19) . 4
C24 N3 Cd1 O3 -24.74(18) . 4
C20 N3 Cd1 C8 173.0(2) . 4
C24 N3 Cd1 C8 -23.5(2) . 4
C20 N3 Cd1 C1 -0.95(19) . .
C24 N3 Cd1 C1 162.52(17) . .
C15 N2 Cd1 O2 165.60(19) . 4
C19 N2 Cd1 O2 -22.15(17) . 4
C15 N2 Cd1 N1 -55(4) . .
C19 N2 Cd1 N1 117(4) . .
C15 N2 Cd1 N3 28.80(14) . .
C19 N2 Cd1 N3 -159.0 . .
C15 N2 Cd1 O4 -107.7(2) . .
C19 N2 Cd1 O4 64.59(18) . .
C15 N2 Cd1 O5 -52.82(18) . .
C19 N2 Cd1 O5 119.43(16) . .
C15 N2 Cd1 O3 111.20(19) . 4
C19 N2 Cd1 O3 -76.55(17) . 4
C15 N2 Cd1 C8 138.7(2) . 4
C19 N2 Cd1 C8 -49.06(19) . 4
C15 N2 Cd1 C1 -80.5(2) . .
C19 N2 Cd1 C1 91.75(18) . .
O2 Cd1 O4 C1 -176.8(5) 4 .
N1 Cd1 O4 C1 -85.0(5) . .
N3 Cd1 O4 C1 4.1(6) . .
N2 Cd1 O4 C1 93.0(5) . .
O5 Cd1 O4 C1 1.6(4) . .
O3 Cd1 O4 C1 -167.6(4) 4 .
C8 Cd1 O4 C1 -171.8(4) 4 .
O2 Cd1 O5 C1 1.0(6) 4 .
N1 Cd1 O5 C1 87.8(4) . .
N3 Cd1 O5 C1 -179.9(4) . .
N2 Cd1 O5 C1 -92.1(4) . .
O4 Cd1 O5 C1 -1.6(4) . .
O3 Cd1 O5 C1 155.0(6) 4 .
C8 Cd1 O5 C1 26.2(11) 4 .
Cd1 O4 C1 O5 -3.0(8) . .
Cd1 O4 C1 C2 178.8(5) . .
Cd1 O5 C1 O4 2.9(7) . .
Cd1 O5 C1 C2 -178.9(6) . .
O2 Cd1 C1 O4 3.5(5) 4 .
N1 Cd1 C1 O4 93.0(5) . .
N3 Cd1 C1 O4 -177.0(4) . .
N2 Cd1 C1 O4 -88.1(5) . .
O5 Cd1 C1 O4 -177.2(7) . .
O3 Cd1 C1 O4 34.5(11) 4 .
C8 Cd1 C1 O4 11.8(6) 4 .
O2 Cd1 C1 O5 -179.3(4) 4 .
N1 Cd1 C1 O5 -89.8(4) . .
N3 Cd1 C1 O5 0.1(5) . .
N2 Cd1 C1 O5 89.1(4) . .
O4 Cd1 C1 O5 177.2(7) . .
O3 Cd1 C1 O5 -148.4(8) 4 .
C8 Cd1 C1 O5 -171.0(4) 4 .
O2 Cd1 C1 C2 -48(25) 4 .
N1 Cd1 C1 C2 42(25) . .
N3 Cd1 C1 C2 132(25) . .
N2 Cd1 C1 C2 -139(25) . .
O4 Cd1 C1 C2 -51(25) . .
O5 Cd1 C1 C2 132(25) . .
O3 Cd1 C1 C2 -17(26) 4 .
C8 Cd1 C1 C2 -40(25) 4 .
O4 C1 C2 C7 -1.7(10) . .
O5 C1 C2 C7 -180.0(7) . .
Cd1 C1 C2 C7 49(26) . .
O4 C1 C2 C3 175.1(7) . .
O5 C1 C2 C3 -3.1(10) . .
Cd1 C1 C2 C3 -134(25) . .
C7 C2 C3 C4 -0.9(11) . .
C1 C2 C3 C4 -177.8(7) . .
C2 C3 C4 C5 1.4(12) . .
C2 C3 C4 C9 178.9(7) . .
C3 C4 C5 C6 -1.5(12) . .
C9 C4 C5 C6 -179.1(7) . .
C4 C5 C6 C7 1.2(11) . .
C4 C5 C6 C8 176.0(7) . .
C5 C6 C7 C2 -0.7(11) . .
C8 C6 C7 C2 -175.5(7) . .
C3 C2 C7 C6 0.6(10) . .
C1 C2 C7 C6 177.4(6) . .
Cd1 O2 C8 O3 5.7(9) 4_545 .
Cd1 O2 C8 C6 -175.9(6) 4_545 .
Cd1 O3 C8 O2 -5.4(9) 4_545 .
Cd1 O3 C8 C6 176.3(6) 4_545 .
C7 C6 C8 O2 172.0(7) . .
C5 C6 C8 O2 -2.8(11) . .
C7 C6 C8 O3 -9.6(11) . .
C5 C6 C8 O3 175.6(7) . .
C7 C6 C8 Cd1 125(7) . 4_545
C5 C6 C8 Cd1 -50(7) . 4_545
N5 N5 C9 N4 0.7(15) 2 .
N5 N5 C9 C4 178.5(10) 2 .
C9 N4 C9 N5 -0.3(6) 2 .
C9 N4 C9 C4 -178.3(10) 2 .
C3 C4 C9 N5 -168.9(10) . .
C5 C4 C9 N5 8.7(15) . .
C3 C4 C9 N4 8.8(12) . .
C5 C4 C9 N4 -173.7(7) . .
