#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:16:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179888 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/84/7018448.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_7018448
loop_
_publ_author_name
'Zhang, Xiao-Feng'
'Song, Wei-Chao'
'Yang, Qian'
'Bu, Xian-He'
_publ_section_title
;
 Zn(ii) and Cd(ii) coordination polymers assembled by
 di(1H-imidazol-1-yl)methane and carboxylic acid ligands.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4217
_journal_page_last               4223
_journal_paper_doi               10.1039/c2dt11990k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C42 H34 Cd2 N8 O12'
_chemical_formula_weight         1067.57
_chemical_name_systematic
;
?
;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.061(4)
_cell_length_b                   31.309(6)
_cell_length_c                   15.114(3)
_cell_measurement_reflns_used    39567
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     8547(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  SCX-MINI
_diffrn_measurement_method       multi-scan
_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  0.0712
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            45281
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    1.068
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4272
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.213
_refine_diff_density_min         -0.624
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.21(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         9812
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0284P)²+8.9984P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0914
_reflns_number_gt                7747
_reflns_number_total             9812
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11990k.txt
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      C2221
_cod_database_code               7018448
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
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
C1 C 0.8812(3) 0.75882(16) 0.2635(4) 0.0456(14) Uani 1 1 d .
H1A H 0.8715 0.7667 0.3217 0.055 Uiso 1 1 calc R
C2 C 0.8744(3) 0.72926(19) 0.1358(4) 0.0538(16) Uani 1 1 d .
H2A H 0.8577 0.7129 0.0884 0.065 Uiso 1 1 calc R
C3 C 0.9356(3) 0.75273(19) 0.1362(4) 0.0522(15) Uani 1 1 d .
H3A H 0.9694 0.7553 0.0901 0.063 Uiso 1 1 calc R
C4 C 1.0000 0.7993(2) 0.2500 0.059(2) Uani 1 2 d S
C5 C 0.6000(3) 0.76459(15) 0.2414(4) 0.0428(13) Uani 1 1 d .
H5A H 0.5905 0.7555 0.1840 0.051 Uiso 1 1 calc R
C6 C 0.6485(3) 0.77241(18) 0.3694(4) 0.0521(15) Uani 1 1 d .
H6A H 0.6801 0.7692 0.4175 0.062 Uiso 1 1 calc R
C7 C 0.5912(3) 0.7990(2) 0.3665(4) 0.0578(16) Uani 1 1 d .
H7A H 0.5754 0.8173 0.4112 0.069 Uiso 1 1 calc R
C8 C 0.5000 0.8211(2) 0.2500 0.059(2) Uani 1 2 d S
C9 C 0.7148(3) 0.66618(17) 0.0946(3) 0.0373(14) Uani 1 1 d .
C10 C 0.7237(3) 0.64610(16) 0.0048(3) 0.0334(12) Uani 1 1 d .
C11 C 0.7827(3) 0.61905(19) -0.0103(3) 0.0486(15) Uani 1 1 d .
H11A H 0.8156 0.6133 0.0356 0.058 Uiso 1 1 calc R
C12 C 0.7941(3) 0.60040(18) -0.0919(4) 0.0507(15) Uani 1 1 d .
H12A H 0.8348 0.5829 -0.1019 0.061 Uiso 1 1 calc R
C13 C 0.7440(4) 0.60830(17) -0.1578(3) 0.0419(15) Uani 1 1 d .
C14 C 0.6841(3) 0.63394(18) -0.1454(3) 0.0471(15) Uani 1 1 d .
H14A H 0.6504 0.6385 -0.1910 0.056 Uiso 1 1 calc R
C15 C 0.6741(3) 0.65320(17) -0.0636(3) 0.0418(13) Uani 1 1 d .
H15A H 0.6337 0.6711 -0.0546 0.050 Uiso 1 1 calc R
C16 C 0.7509(3) 0.60793(18) -0.3166(3) 0.0425(15) Uani 1 1 d .
C17 C 0.7687(3) 0.65040(18) -0.3250(3) 0.0518(15) Uani 1 1 d .
H17A H 0.7812 0.6664 -0.2754 0.062 Uiso 1 1 calc R
C18 C 0.7679(3) 0.66902(17) -0.4075(3) 0.0492(14) Uani 1 1 d .
H18A H 0.7803 0.6977 -0.4131 0.059 Uiso 1 1 calc R
C19 C 0.7489(3) 0.64590(18) -0.4820(3) 0.0392(14) Uani 1 1 d .
C20 C 0.7305(4) 0.60329(19) -0.4707(3) 0.0581(17) Uani 1 1 d .
H20A H 0.7169 0.5872 -0.5198 0.070 Uiso 1 1 calc R
C21 C 0.7318(4) 0.58434(18) -0.3893(3) 0.0571(17) Uani 1 1 d .
H21A H 0.7197 0.5556 -0.3833 0.069 Uiso 1 1 calc R
C22 C 0.7487(3) 0.6657(2) -0.5721(3) 0.0421(14) Uani 1 1 d .
C23 C 0.5031(4) 0.92100(17) 0.4166(4) 0.0465(13) Uani 1 1 d .
C24 C 0.4999(4) 0.90108(14) 0.5063(3) 0.0408(12) Uani 1 1 d .
C25 C 0.5421(3) 0.91708(18) 0.5752(3) 0.0456(14) Uani 1 1 d .
H25A H 0.5706 0.9414 0.5658 0.055 Uiso 1 1 calc R
C26 C 0.5433(3) 0.89807(18) 0.6571(4) 0.0499(15) Uani 1 1 d .
H26A H 0.5732 0.9088 0.7019 0.060 Uiso 1 1 calc R
C27 C 0.4994(4) 0.86286(15) 0.6716(3) 0.0453(13) Uani 1 1 d .
C28 C 0.4561(3) 0.84649(18) 0.6049(4) 0.0521(15) Uani 1 1 d .
H28A H 0.4263 0.8228 0.6156 0.062 Uiso 1 1 calc R
C29 C 0.4569(3) 0.86496(17) 0.5227(3) 0.0486(15) Uani 1 1 d .
H29A H 0.4284 0.8533 0.4775 0.058 Uiso 1 1 calc R
C30 C 1.0087(4) 0.90615(17) 0.0811(3) 0.0472(14) Uani 1 1 d .
C31 C 1.0049(4) 0.88530(15) -0.0074(3) 0.0437(13) Uani 1 1 d .
C32 C 0.9638(3) 0.84845(19) -0.0202(4) 0.0540(16) Uani 1 1 d .
H32A H 0.9379 0.8367 0.0270 0.065 Uiso 1 1 calc R
C33 C 0.9608(3) 0.82911(18) -0.1009(4) 0.0500(15) Uani 1 1 d .
H33A H 0.9314 0.8050 -0.1089 0.060 Uiso 1 1 calc R
C34 C 1.0010(4) 0.84507(14) -0.1703(3) 0.0455(13) Uani 1 1 d .
C35 C 1.0433(3) 0.88107(18) -0.1589(4) 0.0511(15) Uani 1 1 d .
H35A H 1.0704 0.8919 -0.2062 0.061 Uiso 1 1 calc R
C36 C 1.0459(3) 0.90112(17) -0.0790(3) 0.0453(14) Uani 1 1 d .
H36A H 1.0749 0.9254 -0.0719 0.054 Uiso 1 1 calc R
C37 C 0.8562(3) 0.99799(17) 0.2739(4) 0.0456(14) Uani 1 1 d .
H37A H 0.8399 0.9824 0.3226 0.055 Uiso 1 1 calc R
C38 C 0.9157(3) 1.01813(19) 0.1611(4) 0.0559(16) Uani 1 1 d .
H38A H 0.9500 1.0189 0.1151 0.067 Uiso 1 1 calc R
C39 C 0.8638(3) 1.04764(19) 0.1750(4) 0.0553(16) Uani 1 1 d .
H39A H 0.8552 1.0722 0.1419 0.066 Uiso 1 1 calc R
C40 C 0.7605(3) 1.05430(18) 0.2844(5) 0.069(2) Uani 1 1 d .
H40A H 0.7592 1.0490 0.3476 0.083 Uiso 1 1 calc R
H40B H 0.7629 1.0850 0.2754 0.083 Uiso 1 1 calc R
C41 C 0.6490(3) 1.00783(16) 0.2771(4) 0.0473(14) Uani 1 1 d .
H41A H 0.6553 0.9955 0.3325 0.057 Uiso 1 1 calc R
C42 C 0.6661(4) 1.0466(2) 0.1615(5) 0.068(2) Uani 1 1 d .
H42A H 0.6852 1.0661 0.1213 0.082 Uiso 1 1 calc R
C43 C 0.6073(3) 1.0218(2) 0.1497(4) 0.0584(17) Uani 1 1 d .
H43A H 0.5781 1.0210 0.0990 0.070 Uiso 1 1 calc R
Cd1 Cd 1.0000 0.937379(15) 0.2500 0.04105(15) Uani 1 2 d S
Cd2 Cd 0.73635(2) 0.698725(12) 0.26197(2) 0.03712(10) Uani 1 1 d .
Cd3 Cd 0.5000 0.953652(16) 0.2500 0.04130(15) Uani 1 2 d S
N1 N 0.8393(2) 0.73287(14) 0.2168(3) 0.0437(11) Uani 1 1 d .
N2 N 0.9396(2) 0.77245(13) 0.2168(3) 0.0429(12) Uani 1 1 d .
N3 N 0.6544(2) 0.75033(13) 0.2913(3) 0.0396(10) Uani 1 1 d .
N4 N 0.5603(2) 0.79402(13) 0.2848(3) 0.0431(11) Uani 1 1 d .
N5 N 0.9120(2) 0.98676(13) 0.2228(3) 0.0420(11) Uani 1 1 d .
N6 N 0.8264(2) 1.03454(12) 0.2469(3) 0.0451(10) Uani 1 1 d .
N7 N 0.6935(2) 1.03783(12) 0.2442(4) 0.0499(12) Uani 1 1 d .
N8 N 0.5963(2) 0.99777(14) 0.2238(3) 0.0478(12) Uani 1 1 d .
O1 O 0.7511(3) 0.65001(11) 0.1564(2) 0.0539(12) Uani 1 1 d .
O2 O 0.6753(2) 0.69820(13) 0.1046(2) 0.0521(9) Uani 1 1 d .
O3 O 0.7741(2) 0.70268(13) -0.5821(2) 0.0528(10) Uani 1 1 d .
O4 O 0.7238(2) 0.64434(12) -0.6358(2) 0.0554(12) Uani 1 1 d .
O5 O 0.5389(2) 0.95479(14) 0.4047(3) 0.0635(12) Uani 1 1 d .
O6 O 0.4699(3) 0.90309(11) 0.3540(2) 0.0631(13) Uani 1 1 d .
O7 O 1.0393(3) 0.94193(12) 0.0903(3) 0.0582(12) Uani 1 1 d .
O8 O 0.9803(2) 0.88632(11) 0.1468(2) 0.0540(12) Uani 1 1 d .
O9 O 0.7549(2) 0.58598(10) -0.2374(2) 0.0577(10) Uani 1 1 d .
O10 O 0.5000 0.84039(15) 0.7500 0.0615(15) Uani 1 2 d S
O11 O 1.0000 0.82281(14) -0.2500 0.0574(14) Uani 1 2 d S
O1W O 0.5992(3) 0.75287(13) -0.0080(3) 0.0707(13) Uani 1 1 d .
O2W O 0.1232(4) 0.0000 0.0000 0.094(2) Uani 1 2 d S
O3W O 0.2836(9) 0.0000 0.0000 0.228(7) 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'
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
N1 C1 N2 111.5(5) . .
C3 C2 N1 109.4(5) . .
C2 C3 N2 107.4(5) . .
N2 C4 N2 110.1(5) 3_755 .
N3 C5 N4 110.7(5) . .
C7 C6 N3 110.4(5) . .
C6 C7 N4 106.0(5) . .
N4 C8 N4 110.0(5) 3_655 .
O2 C9 O1 122.6(5) . .
O2 C9 C10 120.7(5) . .
O1 C9 C10 116.7(5) . .
O2 C9 Cd2 70.7(3) . .
O1 C9 Cd2 52.3(2) . .
C10 C9 Cd2 165.4(4) . .
C11 C10 C15 118.3(5) . .
C11 C10 C9 119.2(5) . .
C15 C10 C9 122.4(5) . .
C12 C11 C10 121.4(5) . .
C13 C12 C11 118.4(5) . .
C14 C13 C12 122.2(5) . .
C14 C13 O9 121.5(5) . .
C12 C13 O9 116.1(5) . .
C13 C14 C15 118.8(5) . .
C10 C15 C14 120.7(5) . .
C21 C16 C17 120.5(5) . .
C21 C16 O9 116.1(5) . .
C17 C16 O9 123.3(4) . .
C16 C17 C18 119.4(5) . .
C17 C18 C19 121.3(5) . .
C18 C19 C20 117.6(5) . .
C18 C19 C22 121.7(5) . .
C20 C19 C22 120.7(5) . .
C21 C20 C19 121.7(5) . .
C20 C21 C16 119.5(6) . .
O3 C22 O4 122.1(5) . .
O3 C22 C19 119.4(5) . .
O4 C22 C19 118.5(5) . .
O3 C22 Cd2 64.5(3) . 1_554
O4 C22 Cd2 57.8(3) . 1_554
C19 C22 Cd2 175.0(4) . 1_554
O6 C23 O5 121.2(5) . .
O6 C23 C24 118.7(5) . .
O5 C23 C24 120.1(5) . .
O6 C23 Cd3 57.3(3) . .
O5 C23 Cd3 63.9(3) . .
C24 C23 Cd3 175.7(5) . .
C25 C24 C29 117.8(5) . .
C25 C24 C23 120.7(5) . .
C29 C24 C23 121.4(5) . .
C26 C25 C24 121.9(5) . .
C25 C26 C27 118.9(5) . .
C28 C27 C26 120.6(5) . .
C28 C27 O10 116.4(5) . .
C26 C27 O10 122.8(5) . .
C29 C28 C27 120.1(6) . .
C28 C29 C24 120.6(5) . .
O7 C30 O8 121.6(5) . .
O7 C30 C31 120.6(5) . .
O8 C30 C31 117.8(5) . .
O7 C30 Cd1 66.7(3) . .
O8 C30 Cd1 55.0(3) . .
C31 C30 Cd1 172.2(5) . .
C32 C31 C36 118.0(5) . .
C32 C31 C30 121.0(5) . .
C36 C31 C30 120.9(5) . .
C33 C32 C31 121.1(6) . .
C32 C33 C34 120.1(5) . .
C33 C34 C35 120.0(5) . .
C33 C34 O11 118.2(5) . .
C35 C34 O11 121.7(5) . .
C36 C35 C34 120.5(5) . .
C35 C36 C31 120.3(5) . .
N5 C37 N6 111.1(5) . .
C39 C38 N5 110.9(6) . .
C38 C39 N6 105.7(5) . .
N7 C40 N6 111.6(4) . .
N8 C41 N7 112.7(5) . .
C43 C42 N7 107.2(5) . .
C42 C43 N8 109.2(6) . .
N5 Cd1 N5 93.5(2) . 3_755
N5 Cd1 O8 104.37(14) . .
N5 Cd1 O8 136.11(15) 3_755 .
N5 Cd1 O8 136.11(15) . 3_755
N5 Cd1 O8 104.37(14) 3_755 3_755
O8 Cd1 O8 90.05(18) . 3_755
N5 Cd1 O7 89.17(15) . .
N5 Cd1 O7 86.38(15) 3_755 .
O8 Cd1 O7 54.80(12) . .
O8 Cd1 O7 131.02(13) 3_755 .
N5 Cd1 O7 86.38(15) . 3_755
N5 Cd1 O7 89.17(15) 3_755 3_755
O8 Cd1 O7 131.03(13) . 3_755
O8 Cd1 O7 54.80(12) 3_755 3_755
O7 Cd1 O7 173.52(17) . 3_755
N5 Cd1 C30 96.62(16) . .
N5 Cd1 C30 111.97(18) 3_755 .
O8 Cd1 C30 27.56(15) . .
O8 Cd1 C30 112.44(15) 3_755 .
O7 Cd1 C30 27.27(14) . .
O7 Cd1 C30 158.32(18) 3_755 .
N5 Cd1 C30 111.97(18) . 3_755
N5 Cd1 C30 96.62(16) 3_755 3_755
O8 Cd1 C30 112.44(15) . 3_755
O8 Cd1 C30 27.56(15) 3_755 3_755
O7 Cd1 C30 158.32(18) . 3_755
O7 Cd1 C30 27.26(14) 3_755 3_755
C30 Cd1 C30 138.2(2) . 3_755
O1 Cd2 N3 135.84(15) . .
O1 Cd2 N1 90.52(16) . .
N3 Cd2 N1 105.31(15) . .
O1 Cd2 O4 89.21(12) . 1_556
N3 Cd2 O4 109.57(15) . 1_556
N1 Cd2 O4 129.32(15) . 1_556
O1 Cd2 O3 133.62(13) . 1_556
N3 Cd2 O3 87.54(14) . 1_556
N1 Cd2 O3 92.16(14) . 1_556
O4 Cd2 O3 54.73(13) 1_556 1_556
O1 Cd2 O2 52.77(12) . .
N3 Cd2 O2 84.60(13) . .
N1 Cd2 O2 94.32(14) . .
O4 Cd2 O2 124.12(13) 1_556 .
O3 Cd2 O2 170.91(12) 1_556 .
O1 Cd2 C22 113.01(16) . 1_556
N3 Cd2 C22 98.40(16) . 1_556
N1 Cd2 C22 113.07(16) . 1_556
O4 Cd2 C22 27.36(15) 1_556 1_556
O3 Cd2 C22 27.42(14) 1_556 1_556
O2 Cd2 C22 150.24(15) . 1_556
O1 Cd2 C9 26.40(14) . .
N3 Cd2 C9 110.83(17) . .
N1 Cd2 C9 90.81(15) . .
O4 Cd2 C9 109.13(14) 1_556 .
O3 Cd2 C9 159.86(15) 1_556 .
O2 Cd2 C9 26.51(13) . .
C22 Cd2 C9 135.83(16) 1_556 .
N8 Cd3 N8 104.5(2) . 3_655
N8 Cd3 O6 136.43(16) . .
N8 Cd3 O6 96.86(16) 3_655 .
N8 Cd3 O6 96.86(16) . 3_655
N8 Cd3 O6 136.43(16) 3_655 3_655
O6 Cd3 O6 92.84(19) . 3_655
N8 Cd3 O5 92.55(16) . 3_655
N8 Cd3 O5 86.42(15) 3_655 3_655
O6 Cd3 O5 126.72(15) . 3_655
O6 Cd3 O5 54.71(13) 3_655 3_655
N8 Cd3 O5 86.42(15) . .
N8 Cd3 O5 92.55(16) 3_655 .
O6 Cd3 O5 54.71(13) . .
O6 Cd3 O5 126.71(15) 3_655 .
O5 Cd3 O5 178.3(2) 3_655 .
N8 Cd3 C23 112.1(2) . .
N8 Cd3 C23 94.80(18) 3_655 .
O6 Cd3 C23 27.29(15) . .
O6 Cd3 C23 111.72(15) 3_655 .
O5 Cd3 C23 153.97(19) 3_655 .
O5 Cd3 C23 27.43(15) . .
N8 Cd3 C23 94.80(18) . 3_655
N8 Cd3 C23 112.1(2) 3_655 3_655
O6 Cd3 C23 111.72(15) . 3_655
O6 Cd3 C23 27.29(15) 3_655 3_655
O5 Cd3 C23 27.43(15) 3_655 3_655
O5 Cd3 C23 153.97(19) . 3_655
C23 Cd3 C23 135.8(2) . 3_655
C1 N1 C2 105.2(5) . .
C1 N1 Cd2 127.3(4) . .
C2 N1 Cd2 127.4(4) . .
C1 N2 C3 106.5(5) . .
C1 N2 C4 126.0(4) . .
C3 N2 C4 127.1(4) . .
C5 N3 C6 105.3(5) . .
C5 N3 Cd2 128.7(4) . .
C6 N3 Cd2 125.9(4) . .
C5 N4 C7 107.6(5) . .
C5 N4 C8 128.0(4) . .
C7 N4 C8 123.9(4) . .
C37 N5 C38 104.4(5) . .
C37 N5 Cd1 128.0(4) . .
C38 N5 Cd1 125.9(4) . .
C37 N6 C39 107.9(5) . .
C37 N6 C40 125.3(5) . .
C39 N6 C40 126.6(5) . .
C41 N7 C42 105.2(5) . .
C41 N7 C40 126.8(6) . .
C42 N7 C40 127.7(5) . .
C41 N8 C43 105.8(5) . .
C41 N8 Cd3 127.6(4) . .
C43 N8 Cd3 126.4(4) . .
C9 O1 Cd2 101.3(3) . .
C9 O2 Cd2 82.8(3) . .
C22 O3 Cd2 88.1(3) . 1_554
C22 O4 Cd2 94.8(3) . 1_554
C23 O5 Cd3 88.6(3) . .
C23 O6 Cd3 95.4(3) . .
C30 O7 Cd1 86.1(3) . .
C30 O8 Cd1 97.4(3) . .
C16 O9 C13 119.1(3) . .
C27 O10 C27 118.6(5) 3_656 .
C34 O11 C34 119.9(5) . 3_754
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.315(6) .
C1 N2 1.339(6) .
C2 C3 1.327(7) .
C2 N1 1.383(6) .
C3 N2 1.367(7) .
C4 N2 1.466(6) 3_755
C4 N2 1.466(6) .
C5 N3 1.316(6) .
C5 N4 1.339(6) .
C6 C7 1.329(7) .
C6 N3 1.372(6) .
C7 N4 1.365(6) .
C8 N4 1.476(5) 3_655
C8 N4 1.476(5) .
C9 O2 1.240(6) .
C9 O1 1.249(6) .
C9 C10 1.504(7) .
C9 Cd2 2.755(5) .
C10 C11 1.381(7) .
C10 C15 1.386(7) .
C11 C12 1.380(7) .
C12 C13 1.367(7) .
C13 C14 1.361(8) .
C13 O9 1.405(5) .
C14 C15 1.387(7) .
C16 C21 1.367(7) .
C16 C17 1.374(7) .
C16 O9 1.383(5) .
C17 C18 1.376(6) .
C18 C19 1.382(7) .
C19 C20 1.386(8) .
C19 C22 1.497(6) .
C20 C21 1.366(7) .
C22 O3 1.254(7) .
C22 O4 1.255(6) .
C22 Cd2 2.721(5) 1_554
C23 O6 1.252(7) .
C23 O5 1.252(7) .
C23 C24 1.494(7) .
C23 Cd3 2.717(5) .
C24 C25 1.385(8) .
C24 C29 1.395(7) .
C25 C26 1.373(7) .
C26 C27 1.375(8) .
C27 C28 1.375(8) .
C27 O10 1.377(5) .
C28 C29 1.370(7) .
C30 O7 1.257(6) .
C30 O8 1.278(6) .
C30 C31 1.490(7) .
C30 Cd1 2.738(5) .
C31 C32 1.385(7) .
C31 C36 1.401(7) .
C32 C33 1.363(8) .
C33 C34 1.369(8) .
C34 C35 1.372(7) .
C34 O11 1.392(5) .
C35 C36 1.363(7) .
C37 N5 1.317(7) .
C37 N6 1.329(6) .
C38 C39 1.333(8) .
C38 N5 1.357(6) .
C39 N6 1.343(7) .
C40 N7 1.449(7) .
C40 N6 1.456(7) .
C41 N8 1.285(7) .
C41 N7 1.333(6) .
C42 C43 1.326(9) .
C42 N7 1.372(8) .
C43 N8 1.364(7) .
Cd1 N5 2.256(4) .
Cd1 N5 2.256(4) 3_755
Cd1 O8 2.262(4) .
Cd1 O8 2.262(4) 3_755
Cd1 O7 2.520(4) .
Cd1 O7 2.520(4) 3_755
Cd1 C30 2.738(5) 3_755
Cd2 O1 2.223(3) .
Cd2 N3 2.236(4) .
Cd2 N1 2.251(4) .
Cd2 O4 2.311(4) 1_556
Cd2 O3 2.456(3) 1_556
Cd2 O2 2.622(3) .
Cd2 C22 2.721(5) 1_556
Cd3 N8 2.256(4) .
Cd3 N8 2.256(4) 3_655
Cd3 O6 2.296(4) .
Cd3 O6 2.297(4) 3_655
Cd3 O5 2.442(4) 3_655
Cd3 O5 2.442(4) .
Cd3 C23 2.718(5) 3_655
O3 Cd2 2.456(3) 1_554
O4 Cd2 2.311(4) 1_554
O10 C27 1.377(5) 3_656
O11 C34 1.392(5) 3_754
