#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:55:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180455 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/24/7212455.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_7212455
loop_
_publ_author_name
'Chen, Shui-Sheng'
'Bai, Zheng-Shuai'
'Fan, Jian'
'Lv, Gao-Chao'
'Su, Zhi'
'Chen, Man-Sheng'
'Sun, Wei-Yin'
_publ_section_title
;
 Synthesis and characterization of metal complexes with a mixed
 4-imidazole-containing ligand and a variety of multi-carboxylic acids
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3091
_journal_paper_doi               10.1039/c000373e
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C24 H26 Cd2 N4 O8'
_chemical_formula_sum            'C24 H26 Cd2 N4 O8'
_chemical_formula_weight         723.29
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.104(3)
_cell_angle_beta                 107.980(2)
_cell_angle_gamma                95.921(3)
_cell_formula_units_Z            2
_cell_length_a                   10.0234(16)
_cell_length_b                   11.8495(19)
_cell_length_c                   12.210(2)
_cell_measurement_reflns_used    5566
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.32
_cell_volume                     1259.3(4)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_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  0.0527
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7532
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    1.746
_exptl_absorpt_correction_T_max  0.8179
_exptl_absorpt_correction_T_min  0.7441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.956
_refine_diff_density_min         -1.645
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5536
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0342
_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)+(0.0696P)²+0.6972P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1001
_refine_ls_wR_factor_ref         0.1018
_reflns_number_gt                5155
_reflns_number_total             5536
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c000373e.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7212455
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Cd1 Cd 0.42140(2) 0.327255(16) 0.874327(18) 0.02463(9) Uani 1 1 d .
Cd2 Cd 0.59945(2) 0.176243(17) 0.639469(18) 0.02343(9) Uani 1 1 d .
C1 C 0.9507(3) -0.1506(2) 0.7536(3) 0.0247(5) Uani 1 1 d .
C2 C 1.0766(3) -0.1471(3) 0.8467(3) 0.0340(7) Uani 1 1 d .
H2 H 1.1250 -0.0733 0.9160 0.041 Uiso 1 1 calc R
C3 C 1.1300(3) -0.2515(3) 0.8373(3) 0.0331(6) Uani 1 1 d .
H3 H 1.2139 -0.2473 0.9001 0.040 Uiso 1 1 calc R
C4 C 1.0592(3) -0.3631(2) 0.7344(3) 0.0242(5) Uani 1 1 d .
C5 C 0.9340(3) -0.3668(3) 0.6408(3) 0.0326(6) Uani 1 1 d .
H5 H 0.8861 -0.4404 0.5712 0.039 Uiso 1 1 calc R
C6 C 0.8804(3) -0.2620(3) 0.6503(3) 0.0320(6) Uani 1 1 d .
H6 H 0.7969 -0.2661 0.5872 0.038 Uiso 1 1 calc R
C7 C 0.8933(3) -0.0407(2) 0.7633(3) 0.0238(5) Uani 1 1 d .
C8 C 0.7596(3) -0.0287(3) 0.7023(3) 0.0250(5) Uani 1 1 d .
H8 H 0.6811 -0.0937 0.6454 0.030 Uiso 1 1 calc R
C9 C 0.8907(3) 0.1555(3) 0.8197(3) 0.0297(6) Uani 1 1 d .
H9 H 0.9213 0.2412 0.8589 0.036 Uiso 1 1 calc R
C10 C 1.1140(3) -0.4736(3) 0.7294(3) 0.0245(5) Uani 1 1 d .
C11 C 1.2470(3) -0.4853(3) 0.7921(3) 0.0274(6) Uani 1 1 d .
H11 H 1.3274 -0.4202 0.8436 0.033 Uiso 1 1 calc R
C12 C 1.1106(3) -0.6691(3) 0.6911(3) 0.0294(6) Uani 1 1 d .
H12 H 1.0773 -0.7544 0.6599 0.035 Uiso 1 1 calc R
C13 C 0.6191(3) 0.3159(3) 0.5067(3) 0.0305(6) Uani 1 1 d .
C14 C 0.6111(4) 0.3797(3) 0.4167(3) 0.0390(8) Uani 1 1 d .
H14A H 0.7019 0.3878 0.4040 0.047 Uiso 1 1 calc R
H14B H 0.5979 0.4623 0.4543 0.047 Uiso 1 1 calc R
C15 C 0.4885(4) 0.3100(3) 0.2896(3) 0.0373(7) Uani 1 1 d .
H15A H 0.3981 0.2982 0.3023 0.045 Uiso 1 1 calc R
H15B H 0.4818 0.3592 0.2398 0.045 Uiso 1 1 calc R
C16 C 0.5111(4) 0.1851(3) 0.2185(3) 0.0358(7) Uani 1 1 d .
H16A H 0.5152 0.1352 0.2675 0.043 Uiso 1 1 calc R
H16B H 0.6028 0.1968 0.2079 0.043 Uiso 1 1 calc R
C17 C 0.3911(4) 0.1163(3) 0.0900(3) 0.0371(7) Uani 1 1 d .
H17A H 0.4053 0.0342 0.0524 0.045 Uiso 1 1 calc R
H17B H 0.2993 0.1072 0.1009 0.045 Uiso 1 1 calc R
C18 C 0.3847(3) 0.1809(3) 0.0010(3) 0.0266(6) Uani 1 1 d .
C19 C 0.3054(3) 0.5392(3) 1.1002(3) 0.0272(6) Uani 1 1 d .
C20 C 0.1718(4) 0.4446(3) 1.0705(4) 0.0403(8) Uani 1 1 d .
H20A H 0.1917 0.4129 1.1359 0.048 Uiso 1 1 calc R
H20B H 0.1570 0.3761 0.9927 0.048 Uiso 1 1 calc R
C21 C 0.0305(3) 0.4857(3) 1.0575(3) 0.0345(6) Uani 1 1 d .
H21A H -0.0403 0.4210 1.0541 0.041 Uiso 1 1 calc R
H21B H 0.0460 0.5588 1.1316 0.041 Uiso 1 1 calc R
C22 C 0.3379(3) 0.0503(3) 0.6220(2) 0.0235(5) Uani 1 1 d .
C23 C 0.1887(3) -0.0013(3) 0.6112(3) 0.0338(6) Uani 1 1 d .
H23A H 0.1741 0.0432 0.6881 0.041 Uiso 1 1 calc R
H23B H 0.1777 -0.0877 0.5987 0.041 Uiso 1 1 calc R
C24 C 0.0760(3) 0.0111(3) 0.4997(3) 0.0291(6) Uani 1 1 d .
H24A H 0.1022 0.0934 0.5023 0.035 Uiso 1 1 calc R
H24B H 0.0773 -0.0478 0.4220 0.035 Uiso 1 1 calc R
N1 N 0.7595(3) 0.0949(2) 0.7386(2) 0.0260(5) Uani 1 1 d .
N2 N 0.9739(3) 0.0777(2) 0.8382(2) 0.0283(5) Uani 1 1 d .
H2A H 1.0625 0.0982 0.8883 0.034 Uiso 1 1 calc R
N3 N 1.0297(3) -0.5922(2) 0.6648(2) 0.0271(5) Uani 1 1 d .
H3A H 0.9405 -0.6132 0.6160 0.033 Uiso 1 1 calc R
N4 N 1.2438(3) -0.6083(2) 0.7673(2) 0.0289(5) Uani 1 1 d .
O1 O 0.7391(3) 0.3088(2) 0.5733(2) 0.0396(5) Uani 1 1 d .
O2 O 0.5038(2) 0.2706(2) 0.5120(2) 0.0335(5) Uani 1 1 d .
O3 O 0.2654(2) 0.1808(2) -0.0727(2) 0.0334(5) Uani 1 1 d .
O4 O 0.5022(2) 0.2342(2) 0.0038(2) 0.0327(5) Uani 1 1 d .
O5 O 0.3975(2) 0.16265(19) 0.6935(2) 0.0368(5) Uani 1 1 d .
O6 O 0.4001(3) -0.0120(2) 0.5588(2) 0.0375(5) Uani 1 1 d .
O7 O 0.4043(2) 0.5001(2) 1.0653(2) 0.0353(5) Uani 1 1 d .
O8 O 0.3161(3) 0.65089(19) 1.1582(2) 0.0445(6) 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'
O O 0.0106 0.0060 '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'
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
O4 Cd1 N4 150.47(9) 1_556 1_465
O4 Cd1 O7 107.35(9) 1_556 2_667
N4 Cd1 O7 94.93(9) 1_465 2_667
O4 Cd1 O5 95.65(9) 1_556 .
N4 Cd1 O5 91.35(9) 1_465 .
O7 Cd1 O5 116.33(8) 2_667 .
O4 Cd1 O7 86.31(8) 1_556 .
N4 Cd1 O7 82.73(9) 1_465 .
O7 Cd1 O7 71.24(9) 2_667 .
O5 Cd1 O7 170.92(7) . .
O4 Cd1 O3 53.56(8) 1_556 1_556
N4 Cd1 O3 98.03(9) 1_465 1_556
O7 Cd1 O3 150.95(8) 2_667 1_556
O5 Cd1 O3 89.31(8) . 1_556
O7 Cd1 O3 84.72(8) . 1_556
O4 Cd1 C18 26.74(9) 1_556 1_556
N4 Cd1 C18 124.22(10) 1_465 1_556
O7 Cd1 C18 130.16(9) 2_667 1_556
O5 Cd1 C18 94.29(8) . 1_556
O7 Cd1 C18 83.46(8) . 1_556
O3 Cd1 C18 26.89(8) 1_556 1_556
N1 Cd2 O2 158.22(9) . .
N1 Cd2 O5 109.97(9) . .
O2 Cd2 O5 91.80(9) . .
N1 Cd2 O8 84.16(9) . 2_667
O2 Cd2 O8 100.29(8) . 2_667
O5 Cd2 O8 79.03(8) . 2_667
N1 Cd2 O1 104.86(9) . .
O2 Cd2 O1 54.63(8) . .
O5 Cd2 O1 140.49(8) . .
O8 Cd2 O1 86.66(8) 2_667 .
N1 Cd2 O6 92.49(9) . .
O2 Cd2 O6 101.23(9) . .
O5 Cd2 O6 53.08(7) . .
O8 Cd2 O6 127.52(8) 2_667 .
O1 Cd2 O6 143.50(8) . .
N1 Cd2 O6 85.08(9) . 2_656
O2 Cd2 O6 84.28(9) . 2_656
O5 Cd2 O6 119.61(8) . 2_656
O8 Cd2 O6 160.88(9) 2_667 2_656
O1 Cd2 O6 80.88(8) . 2_656
O6 Cd2 O6 68.70(9) . 2_656
C6 C1 C2 118.5(3) . .
C6 C1 C7 120.3(3) . .
C2 C1 C7 121.2(3) . .
C3 C2 C1 120.9(3) . .
C3 C2 H2 119.5 . .
C1 C2 H2 119.5 . .
C2 C3 C4 120.6(3) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C3 C4 C5 118.6(3) . .
C3 C4 C10 119.6(3) . .
C5 C4 C10 121.8(3) . .
C6 C5 C4 120.8(3) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C1 120.6(3) . .
C5 C6 H6 119.7 . .
C1 C6 H6 119.7 . .
C8 C7 N2 105.6(2) . .
C8 C7 C1 130.7(3) . .
N2 C7 C1 123.7(2) . .
C7 C8 N1 109.2(2) . .
C7 C8 H8 125.4 . .
N1 C8 H8 125.4 . .
N1 C9 N2 111.1(3) . .
N1 C9 H9 124.4 . .
N2 C9 H9 124.4 . .
C11 C10 N3 105.4(2) . .
C11 C10 C4 130.3(3) . .
N3 C10 C4 124.0(2) . .
C10 C11 N4 109.5(3) . .
C10 C11 H11 125.3 . .
N4 C11 H11 125.3 . .
N4 C12 N3 111.2(3) . .
N4 C12 H12 124.4 . .
N3 C12 H12 124.4 . .
O2 C13 O1 121.3(3) . .
O2 C13 C14 118.5(3) . .
O1 C13 C14 120.3(3) . .
C13 C14 C15 112.9(3) . .
C13 C14 H14A 109.0 . .
C15 C14 H14A 109.0 . .
C13 C14 H14B 109.0 . .
C15 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
C16 C15 C14 111.9(3) . .
C16 C15 H15A 109.2 . .
C14 C15 H15A 109.2 . .
C16 C15 H15B 109.2 . .
C14 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C15 C16 C17 112.3(3) . .
C15 C16 H16A 109.2 . .
C17 C16 H16A 109.2 . .
C15 C16 H16B 109.2 . .
C17 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
C18 C17 C16 113.5(3) . .
C18 C17 H17A 108.9 . .
C16 C17 H17A 108.9 . .
C18 C17 H17B 108.9 . .
C16 C17 H17B 108.9 . .
H17A C17 H17B 107.7 . .
O3 C18 O4 121.5(3) . .
O3 C18 C17 120.4(3) . .
O4 C18 C17 118.1(3) . .
O3 C18 Cd1 69.15(16) . 1_554
O4 C18 Cd1 52.57(14) . 1_554
C17 C18 Cd1 169.1(2) . 1_554
O8 C19 O7 122.1(3) . .
O8 C19 C20 120.2(3) . .
O7 C19 C20 117.7(3) . .
C19 C20 C21 118.1(3) . .
C19 C20 H20A 107.8 . .
C21 C20 H20A 107.8 . .
C19 C20 H20B 107.8 . .
C21 C20 H20B 107.8 . .
H20A C20 H20B 107.1 . .
C21 C21 C20 114.1(3) 2_567 .
C21 C21 H21A 108.7 2_567 .
C20 C21 H21A 108.7 . .
C21 C21 H21B 108.7 2_567 .
C20 C21 H21B 108.7 . .
H21A C21 H21B 107.6 . .
O6 C22 O5 119.6(3) . .
O6 C22 C23 121.8(3) . .
O5 C22 C23 118.5(2) . .
C22 C23 C24 109.5(2) . .
C22 C23 H23A 109.8 . .
C24 C23 H23A 109.8 . .
C22 C23 H23B 109.8 . .
C24 C23 H23B 109.8 . .
H23A C23 H23B 108.2 . .
C24 C24 C23 112.6(3) 2_556 .
C24 C24 H24A 109.1 2_556 .
C23 C24 H24A 109.1 . .
C24 C24 H24B 109.1 2_556 .
C23 C24 H24B 109.1 . .
H24A C24 H24B 107.8 . .
C9 N1 C8 106.1(2) . .
C9 N1 Cd2 125.1(2) . .
C8 N1 Cd2 126.26(19) . .
C9 N2 C7 108.0(2) . .
C9 N2 H2A 126.0 . .
C7 N2 H2A 126.0 . .
C12 N3 C10 108.0(2) . .
C12 N3 H3A 126.0 . .
C10 N3 H3A 126.0 . .
C12 N4 C11 105.9(2) . .
C12 N4 Cd1 129.8(2) . 1_645
C11 N4 Cd1 123.1(2) . 1_645
C13 O1 Cd2 86.39(19) . .
C13 O2 Cd2 97.34(19) . .
C18 O3 Cd1 83.95(18) . 1_554
C18 O4 Cd1 100.68(18) . 1_554
C22 O5 Cd1 146.54(19) . .
C22 O5 Cd2 97.63(16) . .
Cd1 O5 Cd2 112.77(9) . .
C22 O6 Cd2 89.54(17) . .
C22 O6 Cd2 152.1(2) . 2_656
Cd2 O6 Cd2 111.30(9) . 2_656
C19 O7 Cd1 105.37(19) . 2_667
C19 O7 Cd1 137.1(2) . .
Cd1 O7 Cd1 108.76(9) 2_667 .
C19 O8 Cd2 146.8(2) . 2_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O4 2.228(2) 1_556
Cd1 N4 2.234(2) 1_465
Cd1 O7 2.283(2) 2_667
Cd1 O5 2.314(2) .
Cd1 O7 2.588(2) .
Cd1 O3 2.591(2) 1_556
Cd1 C18 2.757(3) 1_556
Cd2 N1 2.212(2) .
Cd2 O2 2.256(2) .
Cd2 O5 2.322(2) .
Cd2 O8 2.427(2) 2_667
Cd2 O1 2.489(2) .
Cd2 O6 2.509(2) .
Cd2 O6 2.533(2) 2_656
C1 C6 1.395(4) .
C1 C2 1.400(4) .
C1 C7 1.460(4) .
C2 C3 1.381(4) .
C2 H2 0.9300 .
C3 C4 1.394(4) .
C3 H3 0.9300 .
C4 C5 1.398(4) .
C4 C10 1.461(4) .
C5 C6 1.385(4) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.366(4) .
C7 N2 1.374(3) .
C8 N1 1.377(4) .
C8 H8 0.9300 .
C9 N1 1.318(4) .
C9 N2 1.334(4) .
C9 H9 0.9300 .
C10 C11 1.365(4) .
C10 N3 1.375(3) .
C11 N4 1.378(4) .
C11 H11 0.9300 .
C12 N4 1.320(4) .
C12 N3 1.336(4) .
C12 H12 0.9300 .
C13 O2 1.254(4) .
C13 O1 1.256(4) .
C13 C14 1.521(4) .
C14 C15 1.528(4) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.518(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.525(4) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.520(4) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 O3 1.254(4) .
C18 O4 1.262(4) .
C18 Cd1 2.757(3) 1_554
C19 O8 1.242(3) .
C19 O7 1.265(4) .
C19 C20 1.514(4) .
C20 C21 1.525(4) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C21 1.516(6) 2_567
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 O6 1.237(4) .
C22 O5 1.267(3) .
C22 C23 1.503(4) .
C23 C24 1.542(4) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C24 1.522(5) 2_556
C24 H24A 0.9700 .
C24 H24B 0.9700 .
N2 H2A 0.8600 .
N3 H3A 0.8600 .
N4 Cd1 2.234(2) 1_645
O3 Cd1 2.591(2) 1_554
O4 Cd1 2.228(2) 1_554
O6 Cd2 2.533(2) 2_656
O7 Cd1 2.283(2) 2_667
O8 Cd2 2.427(2) 2_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
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 -0.4(5) . .
C7 C1 C2 C3 179.7(3) . .
C1 C2 C3 C4 -0.1(5) . .
C2 C3 C4 C5 0.5(5) . .
C2 C3 C4 C10 -177.1(3) . .
C3 C4 C5 C6 -0.6(5) . .
C10 C4 C5 C6 177.0(3) . .
C4 C5 C6 C1 0.2(5) . .
C2 C1 C6 C5 0.3(5) . .
C7 C1 C6 C5 -179.7(3) . .
C6 C1 C7 C8 17.5(5) . .
C2 C1 C7 C8 -162.6(3) . .
C6 C1 C7 N2 -159.7(3) . .
C2 C1 C7 N2 20.2(4) . .
N2 C7 C8 N1 0.6(3) . .
C1 C7 C8 N1 -176.9(3) . .
C3 C4 C10 C11 -19.8(5) . .
C5 C4 C10 C11 162.6(3) . .
C3 C4 C10 N3 153.4(3) . .
C5 C4 C10 N3 -24.3(4) . .
N3 C10 C11 N4 -0.6(3) . .
C4 C10 C11 N4 173.5(3) . .
O2 C13 C14 C15 -41.9(4) . .
O1 C13 C14 C15 137.8(3) . .
C13 C14 C15 C16 -65.2(4) . .
C14 C15 C16 C17 -178.5(2) . .
C15 C16 C17 C18 64.4(4) . .
C16 C17 C18 O3 -142.4(3) . .
C16 C17 C18 O4 37.5(4) . .
C16 C17 C18 Cd1 8.2(14) . 1_554
O8 C19 C20 C21 27.1(5) . .
O7 C19 C20 C21 -153.6(3) . .
C19 C20 C21 C21 68.9(4) . 2_567
O6 C22 C23 C24 -83.8(4) . .
O5 C22 C23 C24 92.7(3) . .
C22 C23 C24 C24 -166.8(3) . 2_556
N2 C9 N1 C8 -0.7(4) . .
N2 C9 N1 Cd2 -163.4(2) . .
C7 C8 N1 C9 0.0(3) . .
C7 C8 N1 Cd2 162.5(2) . .
O2 Cd2 N1 C9 61.1(4) . .
O5 Cd2 N1 C9 -118.1(3) . .
O8 Cd2 N1 C9 -42.0(3) 2_667 .
O1 Cd2 N1 C9 42.9(3) . .
O6 Cd2 N1 C9 -169.5(3) . .
O6 Cd2 N1 C9 122.1(3) 2_656 .
O2 Cd2 N1 C8 -98.2(3) . .
O5 Cd2 N1 C8 82.6(2) . .
O8 Cd2 N1 C8 158.7(2) 2_667 .
O1 Cd2 N1 C8 -116.4(2) . .
O6 Cd2 N1 C8 31.2(2) . .
O6 Cd2 N1 C8 -37.2(2) 2_656 .
N1 C9 N2 C7 1.1(4) . .
C8 C7 N2 C9 -1.0(3) . .
C1 C7 N2 C9 176.8(3) . .
N4 C12 N3 C10 -1.3(4) . .
C11 C10 N3 C12 1.1(3) . .
C4 C10 N3 C12 -173.5(3) . .
N3 C12 N4 C11 0.9(4) . .
N3 C12 N4 Cd1 167.9(2) . 1_645
C10 C11 N4 C12 -0.2(4) . .
C10 C11 N4 Cd1 -168.3(2) . 1_645
O2 C13 O1 Cd2 5.9(3) . .
C14 C13 O1 Cd2 -173.8(3) . .
N1 Cd2 O1 C13 168.38(18) . .
O2 Cd2 O1 C13 -3.45(17) . .
O5 Cd2 O1 C13 -40.3(2) . .
O8 Cd2 O1 C13 -108.56(19) 2_667 .
O6 Cd2 O1 C13 52.7(2) . .
O6 Cd2 O1 C13 85.99(19) 2_656 .
O1 C13 O2 Cd2 -6.6(3) . .
C14 C13 O2 Cd2 173.1(2) . .
N1 Cd2 O2 C13 -18.3(3) . .
O5 Cd2 O2 C13 161.04(18) . .
O8 Cd2 O2 C13 81.86(19) 2_667 .
O1 Cd2 O2 C13 3.48(17) . .
O6 Cd2 O2 C13 -146.30(18) . .
O6 Cd2 O2 C13 -79.38(18) 2_656 .
O4 C18 O3 Cd1 -5.6(3) . 1_554
C17 C18 O3 Cd1 174.3(3) . 1_554
O3 C18 O4 Cd1 6.6(3) . 1_554
C17 C18 O4 Cd1 -173.3(2) . 1_554
O6 C22 O5 Cd1 -152.0(3) . .
C23 C22 O5 Cd1 31.4(5) . .
O6 C22 O5 Cd2 3.6(3) . .
C23 C22 O5 Cd2 -173.0(2) . .
O4 Cd1 O5 C22 59.7(4) 1_556 .
N4 Cd1 O5 C22 -91.6(4) 1_465 .
O7 Cd1 O5 C22 172.2(3) 2_667 .
O3 Cd1 O5 C22 6.4(4) 1_556 .
C18 Cd1 O5 C22 32.9(4) 1_556 .
O4 Cd1 O5 Cd2 -93.97(11) 1_556 .
N4 Cd1 O5 Cd2 114.75(11) 1_465 .
O7 Cd1 O5 Cd2 18.57(14) 2_667 .
O3 Cd1 O5 Cd2 -147.23(10) 1_556 .
C18 Cd1 O5 Cd2 -120.78(11) 1_556 .
N1 Cd2 O5 C22 -79.49(19) . .
O2 Cd2 O5 C22 100.79(18) . .
O8 Cd2 O5 C22 -159.1(2) 2_667 .
O1 Cd2 O5 C22 130.09(17) . .
O6 Cd2 O5 C22 -1.92(16) . .
O6 Cd2 O5 C22 16.3(2) 2_656 .
N1 Cd2 O5 Cd1 86.23(12) . .
O2 Cd2 O5 Cd1 -93.49(11) . .
O8 Cd2 O5 Cd1 6.64(9) 2_667 .
O1 Cd2 O5 Cd1 -64.20(17) . .
O6 Cd2 O5 Cd1 163.79(17) . .
O6 Cd2 O5 Cd1 -177.94(8) 2_656 .
O5 C22 O6 Cd2 -3.3(3) . .
C23 C22 O6 Cd2 173.2(2) . .
O5 C22 O6 Cd2 -142.9(4) . 2_656
C23 C22 O6 Cd2 33.5(6) . 2_656
N1 Cd2 O6 C22 115.22(19) . .
O2 Cd2 O6 C22 -81.79(19) . .
O5 Cd2 O6 C22 1.95(16) . .
O8 Cd2 O6 C22 30.7(2) 2_667 .
O1 Cd2 O6 C22 -125.42(18) . .
O6 Cd2 O6 C22 -161.0(3) 2_656 .
N1 Cd2 O6 Cd2 -83.74(11) . 2_656
O2 Cd2 O6 Cd2 79.26(11) . 2_656
O5 Cd2 O6 Cd2 162.99(17) . 2_656
O8 Cd2 O6 Cd2 -168.29(9) 2_667 2_656
O1 Cd2 O6 Cd2 35.62(19) . 2_656
O6 Cd2 O6 Cd2 0.0 2_656 2_656
O8 C19 O7 Cd1 -1.9(3) . 2_667
C20 C19 O7 Cd1 178.9(2) . 2_667
O8 C19 O7 Cd1 -143.6(3) . .
C20 C19 O7 Cd1 37.1(4) . .
O4 Cd1 O7 C19 -109.4(3) 1_556 .
N4 Cd1 O7 C19 43.1(3) 1_465 .
O7 Cd1 O7 C19 140.9(4) 2_667 .
O3 Cd1 O7 C19 -55.7(3) 1_556 .
C18 Cd1 O7 C19 -82.7(3) 1_556 .
O4 Cd1 O7 Cd1 109.72(10) 1_556 2_667
N4 Cd1 O7 Cd1 -97.75(11) 1_465 2_667
O7 Cd1 O7 Cd1 0.0 2_667 2_667
O3 Cd1 O7 Cd1 163.44(10) 1_556 2_667
C18 Cd1 O7 Cd1 136.43(11) 1_556 2_667
O7 C19 O8 Cd2 -86.8(5) . 2_667
C20 C19 O8 Cd2 92.5(5) . 2_667
