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#$Date: 2022-05-11 10:45:50 +0300 (Wed, 11 May 2022) $
#$Revision: 275321 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/52/8105208.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_8105208
loop_
_publ_author_name
'Wang, Hua-Rui'
_publ_section_title
;
 Crystal structure of
 poly[diaqua-(μ3-fumarato)-(μ3-maleato)-(μ4-1,2,4,5-tetrakis((1H-1,2,4-triazol-1-yl)methyl)benzene)tetracadmium(II)]
 dihydrate, C34H32N12O9Cd4
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              293
_journal_page_last               295
_journal_paper_doi               10.1515/ncrs-2021-0475
_journal_volume                  237
_journal_year                    2022
_chemical_formula_moiety         'C34 H30 Cd4 N12 O18, H2 O'
_chemical_formula_sum            'C34 H32 Cd4 N12 O19'
_chemical_formula_weight         1362.31
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_cell_angle_alpha                94.35(3)
_cell_angle_beta                 96.80(3)
_cell_angle_gamma                93.35(3)
_cell_formula_units_Z            1
_cell_length_a                   9.894(2)
_cell_length_b                   9.942(2)
_cell_length_c                   10.896(2)
_cell_measurement_reflns_used    3101
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8724
_cell_measurement_theta_min      1.887
_cell_volume                     1058.7(4)
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku Saturn 724 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12985
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.881
_diffrn_reflns_theta_min         2.059
_exptl_absorpt_coefficient_mu    2.076
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.603
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4985
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0418P)²+1.8511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0933
_refine_ls_wR_factor_ref         0.0984
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4319
_reflns_number_total             4985
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0475_suppl.cif
_cod_data_source_block           c
_cod_database_code               8105208
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.746
_shelx_estimated_absorpt_t_min   0.614
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Cd2-H12a \\sim Cd2-H12b
 with sigma of 0.02
3. Others
 Fixed Sof: O9(0.5) H9a(0.5) H9b(0.5)
4.a Riding coordinates:
 O12(H12a,H12b), O9(H9a,H9b)
4.b Secondary CH2 refined with riding coordinates:
 C7(H7a,H7b), C10(H10a,H10b)
4.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C8(H8), C11(H11), C12(H12), C26(H26), C29(H29),
 C31(H31)
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.38499(3) 0.60679(3) 0.26674(3) 0.04006(10) Uani 1 1 d . . . . .
Cd2 Cd 0.57500(3) 0.82836(3) -0.01463(3) 0.04661(11) Uani 1 1 d D . . . .
O1 O 0.4111(3) 0.7063(4) 0.0711(3) 0.0540(8) Uani 1 1 d . . . . .
O2 O 0.2142(4) 0.6124(5) 0.0908(3) 0.0824(14) Uani 1 1 d . . . . .
O3 O 0.4093(3) 0.4703(3) -0.2634(3) 0.0474(7) Uani 1 1 d . . . . .
O4 O 0.5338(3) 0.6431(3) -0.1625(3) 0.0538(8) Uani 1 1 d . . . . .
O5 O 0.3158(4) 0.8051(4) 0.3513(3) 0.0603(9) Uani 1 1 d . . . . .
O6 O 0.4559(4) 0.7031(4) 0.4779(3) 0.0587(9) Uani 1 1 d . . . . .
O7 O 0.3467(5) 1.1137(4) 0.7466(4) 0.0935(16) Uani 1 1 d . . . . .
O8 O 0.4597(4) 0.9954(3) 0.8763(3) 0.0518(8) Uani 1 1 d . . . . .
O12 O 0.7248(4) 0.6799(4) 0.0854(4) 0.0772(12) Uani 1 1 d . . . . .
H12A H 0.7420 0.7300 0.1529 0.116 Uiso 1 1 d DR U . . .
H12B H 0.6860 0.6208 0.1298 0.116 Uiso 1 1 d DR U . . .
N1 N -0.2320(3) -0.0992(3) 0.9098(3) 0.0400(8) Uani 1 1 d . . . . .
N2 N -0.0813(3) 0.0178(3) 0.8250(3) 0.0328(7) Uani 1 1 d . . . . .
N3 N -0.0151(4) -0.0875(4) 0.8704(3) 0.0431(8) Uani 1 1 d . . . . .
N4 N 0.2324(4) 0.4668(4) 0.3446(3) 0.0410(8) Uani 1 1 d . . . . .
N5 N 0.0310(4) 0.3847(4) 0.3897(4) 0.0471(9) Uani 1 1 d . . . . .
N6 N 0.1342(3) 0.3540(3) 0.4759(3) 0.0370(7) Uani 1 1 d . . . . .
C1 C 0.4092(5) 1.0149(5) 0.7678(4) 0.0476(10) Uani 1 1 d . . . . .
C4 C 0.3644(6) 0.9042(5) 0.5557(4) 0.0584(13) Uani 1 1 d . . . . .
H4 H 0.3010 0.9678 0.5384 0.070 Uiso 1 1 calc R U . . .
C5 C 0.4334(5) 0.9124(5) 0.6660(4) 0.0480(10) Uani 1 1 d . . . . .
H5 H 0.5004 0.8522 0.6821 0.058 Uiso 1 1 calc R U . . .
C6 C 0.2374(4) 0.6923(5) -0.1023(4) 0.0471(10) Uani 1 1 d . . . . .
H6 H 0.1568 0.7361 -0.1127 0.056 Uiso 1 1 calc R U . . .
C7 C 0.1074(5) 0.2752(4) 0.5791(4) 0.0461(10) Uani 1 1 d . . . . .
H7A H 0.0433 0.3205 0.6259 0.055 Uiso 1 1 calc R U . . .
H7B H 0.1917 0.2719 0.6339 0.055 Uiso 1 1 calc R U . . .
C8 C -0.1089(4) -0.1541(4) 0.9205(4) 0.0419(9) Uani 1 1 d . . . . .
H8 H -0.0930 -0.2324 0.9600 0.050 Uiso 1 1 calc R U . . .
C10 C -0.0157(4) 0.1127(4) 0.7521(3) 0.0370(8) Uani 1 1 d . . . . .
H10A H 0.0758 0.1389 0.7924 0.044 Uiso 1 1 calc R U . . .
H10B H -0.0662 0.1934 0.7494 0.044 Uiso 1 1 calc R U . . .
C11 C 0.0576(4) 0.0764(4) 0.4190(3) 0.0353(8) Uani 1 1 d . . . . .
H11 H 0.0974 0.1286 0.3638 0.042 Uiso 1 1 calc R U . . .
C12 C 0.0959(4) 0.4513(4) 0.3138(4) 0.0416(9) Uani 1 1 d . . . . .
H12 H 0.0517 0.4855 0.2438 0.050 Uiso 1 1 calc R U . . .
C23 C 0.0503(4) 0.1323(4) 0.5380(3) 0.0331(8) Uani 1 1 d . . . . .
C24 C -0.0077(4) 0.0545(4) 0.6208(3) 0.0312(7) Uani 1 1 d . . . . .
C25 C 0.2921(4) 0.6688(4) 0.0268(4) 0.0399(9) Uani 1 1 d . . . . .
C26 C -0.2103(4) 0.0081(4) 0.8486(3) 0.0347(8) Uani 1 1 d . . . . .
H26 H -0.2755 0.0681 0.8254 0.042 Uiso 1 1 calc R U . . .
C27 C 0.4213(4) 0.5867(4) -0.2082(3) 0.0391(9) Uani 1 1 d . . . . .
C29 C 0.2924(5) 0.6568(5) -0.2033(4) 0.0463(10) Uani 1 1 d . . . . .
H29 H 0.2467 0.6774 -0.2784 0.056 Uiso 1 1 calc R U . . .
C30 C 0.3822(5) 0.7974(5) 0.4556(4) 0.0455(10) Uani 1 1 d . . . . .
C31 C 0.2518(4) 0.4028(4) 0.4478(4) 0.0416(9) Uani 1 1 d . . . . .
H31 H 0.3361 0.3940 0.4931 0.050 Uiso 1 1 calc R U . . .
O9 O 0.0447(13) 0.4372(13) -0.0431(14) 0.148(5) Uani 0.5 1 d . . P A -1
H9A H -0.0326 0.3931 -0.0537 0.222 Uiso 0.5 1 d R U P A -1
H9B H 0.0959 0.3873 -0.0812 0.222 Uiso 0.5 1 d R U P A -1
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'
Cd Cd -0.8075 1.2024 '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'
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 C30 111.91(13) . .
O2 Cd1 O1 52.57(11) . .
O2 Cd1 O6 143.46(15) . .
O2 Cd1 C30 116.89(16) . .
O3 Cd1 O1 88.61(12) 2_665 .
O3 Cd1 O2 126.14(14) 2_665 .
O3 Cd1 O5 131.56(13) 2_665 .
O3 Cd1 O6 88.82(12) 2_665 .
O3 Cd1 N4 114.64(12) 2_665 .
O3 Cd1 C30 111.41(13) 2_665 .
O5 Cd1 O1 91.33(12) . .
O5 Cd1 O2 89.90(15) . .
O5 Cd1 O6 55.07(11) . .
O5 Cd1 C30 27.64(12) . .
O6 Cd1 O1 128.89(13) . .
O6 Cd1 C30 27.43(12) . .
N4 Cd1 O1 138.30(12) . .
N4 Cd1 O2 86.48(13) . .
N4 Cd1 O5 96.69(14) . .
N4 Cd1 O6 87.68(13) . .
N4 Cd1 C30 92.04(14) . .
O1 Cd2 O4 80.30(12) . .
O1 Cd2 O8 106.21(12) . 1_554
O1 Cd2 O12 83.49(13) . .
O4 Cd2 O8 100.36(11) . 1_554
O4 Cd2 O12 81.85(14) . .
O8 Cd2 O1 86.49(13) 2_676 .
O8 Cd2 O4 161.51(12) 2_676 .
O8 Cd2 O8 70.92(12) 2_676 1_554
O8 Cd2 O12 170.26(12) 1_554 .
O8 Cd2 O12 109.58(14) 2_676 .
N1 Cd2 O1 165.00(13) 1_664 .
N1 Cd2 O4 92.79(12) 1_664 .
N1 Cd2 O8 88.05(12) 1_664 1_554
N1 Cd2 O8 102.92(13) 1_664 2_676
N1 Cd2 O12 82.36(13) 1_664 .
Cd2 O1 Cd1 138.28(14) . .
C25 O1 Cd1 92.4(3) . .
C25 O1 Cd2 129.3(3) . .
C25 O2 Cd1 94.6(3) . .
C27 O3 Cd1 109.0(3) . 2_665
C27 O4 Cd2 127.7(3) . .
C30 O5 Cd1 94.5(3) . .
C30 O6 Cd1 88.1(3) . .
Cd2 O8 Cd2 109.08(12) 2_676 1_556
C1 O8 Cd2 111.1(3) . 2_676
C1 O8 Cd2 139.8(3) . 1_556
Cd2 O12 H12A 95.1 . .
Cd2 O12 H12B 115.5 . .
H12A O12 H12B 86.0 . .
C8 N1 Cd2 128.0(3) . 1_446
C26 N1 Cd2 128.8(3) . 1_446
C26 N1 C8 103.2(3) . .
N3 N2 C10 121.4(3) . .
C26 N2 N3 109.4(3) . .
C26 N2 C10 128.9(3) . .
C8 N3 N2 103.2(3) . .
C12 N4 Cd1 128.1(3) . .
C31 N4 Cd1 127.6(3) . .
C31 N4 C12 103.0(3) . .
C12 N5 N6 102.6(3) . .
N5 N6 C7 121.5(3) . .
C31 N6 N5 109.9(3) . .
C31 N6 C7 128.7(4) . .
O7 C1 O8 121.5(4) . .
O7 C1 C5 121.6(4) . .
O8 C1 C5 116.9(4) . .
C5 C4 H4 118.4 . .
C5 C4 C30 123.2(5) . .
C30 C4 H4 118.4 . .
C1 C5 H5 118.6 . .
C4 C5 C1 122.8(4) . .
C4 C5 H5 118.6 . .
C25 C6 H6 117.0 . .
C29 C6 H6 117.0 . .
C29 C6 C25 126.1(4) . .
N6 C7 H7A 108.9 . .
N6 C7 H7B 108.9 . .
N6 C7 C23 113.2(3) . .
H7A C7 H7B 107.8 . .
C23 C7 H7A 108.9 . .
C23 C7 H7B 108.9 . .
N1 C8 H8 122.9 . .
N3 C8 N1 114.1(4) . .
N3 C8 H8 122.9 . .
N2 C10 H10A 109.1 . .
N2 C10 H10B 109.1 . .
N2 C10 C24 112.6(3) . .
H10A C10 H10B 107.8 . .
C24 C10 H10A 109.1 . .
C24 C10 H10B 109.1 . .
C23 C11 H11 118.9 . .
C24 C11 H11 118.9 2_556 .
C24 C11 C23 122.3(3) 2_556 .
N4 C12 H12 122.7 . .
N5 C12 N4 114.6(4) . .
N5 C12 H12 122.7 . .
C11 C23 C7 120.9(3) . .
C11 C23 C24 119.1(3) . .
C24 C23 C7 120.0(3) . .
C11 C24 C10 121.2(3) 2_556 .
C11 C24 C23 118.7(3) 2_556 .
C23 C24 C10 120.2(3) . .
O1 C25 C6 121.9(4) . .
O2 C25 O1 120.3(4) . .
O2 C25 C6 117.8(4) . .
N1 C26 N2 110.0(3) . .
N1 C26 H26 125.0 . .
N2 C26 H26 125.0 . .
O3 C27 C29 116.0(4) . .
O4 C27 O3 122.7(4) . .
O4 C27 C29 121.2(4) . .
C6 C29 C27 126.0(4) . .
C6 C29 H29 117.0 . .
C27 C29 H29 117.0 . .
O5 C30 Cd1 57.9(2) . .
O5 C30 C4 117.1(4) . .
O6 C30 Cd1 64.4(2) . .
O6 C30 O5 122.3(4) . .
O6 C30 C4 120.6(4) . .
C4 C30 Cd1 173.7(4) . .
N4 C31 H31 125.0 . .
N6 C31 N4 109.9(4) . .
N6 C31 H31 125.0 . .
H9A O9 H9B 104.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.451(3) .
Cd1 O2 2.407(4) .
Cd1 O3 2.220(3) 2_665
Cd1 O5 2.288(3) .
Cd1 O6 2.431(3) .
Cd1 N4 2.275(3) .
Cd1 C30 2.694(4) .
Cd2 O1 2.297(3) .
Cd2 O4 2.336(3) .
Cd2 O8 2.292(3) 2_676
Cd2 O8 2.381(3) 1_554
Cd2 O12 2.384(4) .
Cd2 N1 2.268(3) 1_664
O1 C25 1.243(5) .
O2 C25 1.238(5) .
O3 Cd1 2.220(3) 2_665
O3 C27 1.255(5) .
O4 C27 1.247(5) .
O5 C30 1.254(5) .
O6 C30 1.242(5) .
O7 C1 1.213(6) .
O8 Cd2 2.381(3) 1_556
O8 Cd2 2.292(3) 2_676
O8 C1 1.262(5) .
O12 H12A 0.8501 .
O12 H12B 0.8875 .
N1 Cd2 2.268(3) 1_446
N1 C8 1.360(5) .
N1 C26 1.321(5) .
N2 N3 1.360(5) .
N2 C10 1.451(5) .
N2 C26 1.331(5) .
N3 C8 1.304(5) .
N4 C12 1.349(5) .
N4 C31 1.333(5) .
N5 N6 1.368(5) .
N5 C12 1.302(6) .
N6 C7 1.459(5) .
N6 C31 1.313(5) .
C1 C5 1.498(6) .
C4 H4 0.9300 .
C4 C5 1.305(6) .
C4 C30 1.496(6) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C6 C25 1.486(6) .
C6 C29 1.318(6) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 C23 1.512(5) .
C8 H8 0.9300 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 C24 1.515(5) .
C11 H11 0.9300 .
C11 C23 1.384(5) .
C11 C24 1.383(5) 2_556
C12 H12 0.9300 .
C23 C24 1.385(5) .
C24 C11 1.383(5) 2_556
C26 H26 0.9300 .
C27 C29 1.494(6) .
C29 H29 0.9300 .
C31 H31 0.9300 .
O9 H9A 0.8501 .
O9 H9B 0.8499 .
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
O12 H12A O7 0.85 2.12 2.822(6) 139.2 2_676
O9 H9A O2 0.85 1.79 2.564(13) 150.2 2_565
O9 H9B O12 0.85 1.94 2.691(13) 147.5 2_665
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cd1 O1 C25 O2 4.4(5) . . . .
Cd1 O1 C25 C6 -177.1(4) . . . .
Cd1 O2 C25 O1 -4.5(5) . . . .
Cd1 O2 C25 C6 176.9(3) . . . .
Cd1 O3 C27 O4 -1.3(5) 2_665 . . .
Cd1 O3 C27 C29 176.9(3) 2_665 . . .
Cd1 O5 C30 O6 1.7(5) . . . .
Cd1 O5 C30 C4 -175.6(4) . . . .
Cd1 O6 C30 O5 -1.6(5) . . . .
Cd1 O6 C30 C4 175.7(4) . . . .
Cd1 N4 C12 N5 -167.0(3) . . . .
Cd1 N4 C31 N6 167.2(3) . . . .
Cd2 O1 C25 O2 -174.2(4) . . . .
Cd2 O1 C25 C6 4.3(6) . . . .
Cd2 O4 C27 O3 -162.4(3) . . . .
Cd2 O4 C27 C29 19.5(6) . . . .
Cd2 O8 C1 O7 -2.8(7) 2_676 . . .
Cd2 O8 C1 O7 174.6(4) 1_556 . . .
Cd2 O8 C1 C5 -7.0(8) 1_556 . . .
Cd2 O8 C1 C5 175.6(3) 2_676 . . .
Cd2 N1 C8 N3 -178.0(3) 1_446 . . .
Cd2 N1 C26 N2 177.5(3) 1_446 . . .
O3 C27 C29 C6 115.8(5) . . . .
O4 C27 C29 C6 -66.0(7) . . . .
O7 C1 C5 C4 -16.6(9) . . . .
O8 C1 C5 C4 165.1(5) . . . .
N2 N3 C8 N1 0.3(5) . . . .
N2 C10 C24 C11 -0.9(5) . . . 2_556
N2 C10 C24 C23 179.1(3) . . . .
N3 N2 C10 C24 75.7(4) . . . .
N3 N2 C26 N1 0.8(5) . . . .
N5 N6 C7 C23 64.2(5) . . . .
N5 N6 C31 N4 0.2(5) . . . .
N6 N5 C12 N4 -0.4(5) . . . .
N6 C7 C23 C11 15.3(6) . . . .
N6 C7 C23 C24 -166.0(4) . . . .
C5 C4 C30 O5 -175.8(5) . . . .
C5 C4 C30 O6 6.8(9) . . . .
C7 N6 C31 N4 178.7(4) . . . .
C7 C23 C24 C10 0.8(6) . . . .
C7 C23 C24 C11 -179.2(4) . . . 2_556
C8 N1 C26 N2 -0.6(4) . . . .
C10 N2 N3 C8 -175.1(3) . . . .
C10 N2 C26 N1 174.7(3) . . . .
C11 C23 C24 C10 179.4(4) . . . .
C11 C23 C24 C11 -0.6(6) . . . 2_556
C12 N4 C31 N6 -0.5(5) . . . .
C12 N5 N6 C7 -178.5(4) . . . .
C12 N5 N6 C31 0.1(5) . . . .
C24 C11 C23 C7 179.2(4) 2_556 . . .
C24 C11 C23 C24 0.6(6) 2_556 . . .
C25 C6 C29 C27 -0.4(8) . . . .
C26 N1 C8 N3 0.1(5) . . . .
C26 N2 N3 C8 -0.7(4) . . . .
C26 N2 C10 C24 -97.5(5) . . . .
C29 C6 C25 O1 53.7(7) . . . .
C29 C6 C25 O2 -127.7(6) . . . .
C30 C4 C5 C1 -176.4(5) . . . .
C31 N4 C12 N5 0.6(5) . . . .
C31 N6 C7 C23 -114.2(5) . . . .
