#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:34:52 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180511 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/80/7218059.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_7218059
loop_
_publ_author_name
'Liang, Guorui'
'Liu, Yaru'
'Zhang, Xiao'
'Yi, Zhihui'
_publ_section_title
;
 Anion-dependent assemblies of a series of Cd(ii) coordination complexes
 based on an asymmetric multi-dentate ligand and inorganic SBUs:
 syntheses, crystal structures, and fluorescent properties
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              9896
_journal_paper_doi               10.1039/C4CE01456A
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C26 H30 Cd N12 O6, C H4 O'
_chemical_formula_sum            'C27 H34 Cd N12 O7'
_chemical_formula_weight         751.06
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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     iterative
_audit_creation_date             2014-08-15
_audit_creation_method
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_cell_angle_alpha                90
_cell_angle_beta                 94.582(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.5918(9)
_cell_length_b                   13.5595(5)
_cell_length_c                   18.1128(6)
_cell_measurement_reflns_used    4553
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.6360
_cell_measurement_theta_min      3.6690
_cell_volume                     6510.1(4)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58)'
_computing_data_collection
'CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58)'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 15.9737
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega  -15.00   37.00   1.0000    4.6200
omega____ theta____ kappa____ phi______ frames
    -       18.8263  -37.0000 -120.0000 52

  2 omega   40.00   84.00   1.0000    4.6200
omega____ theta____ kappa____ phi______ frames
    -       18.8263  178.0000   90.0000 44

  3 omega  -51.00   -9.00   1.0000    4.6200
omega____ theta____ kappa____ phi______ frames
    -       18.8263  -71.0000  174.0000 42

  4 omega    6.00   44.00   1.0000    4.6200
omega____ theta____ kappa____ phi______ frames
    -       18.8263  -71.0000  174.0000 38

  5 omega   57.00   96.00   1.0000    4.6200
omega____ theta____ kappa____ phi______ frames
    -       18.8263 -178.0000 -150.0000 39

  6 omega  -46.00   28.00   1.0000    4.6200
omega____ theta____ kappa____ phi______ frames
    -       18.8263  -81.0000   74.8615 74
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0105514000
_diffrn_orient_matrix_UB_12      0.0410943000
_diffrn_orient_matrix_UB_13      0.0174713000
_diffrn_orient_matrix_UB_21      -0.0186394000
_diffrn_orient_matrix_UB_22      0.0043622000
_diffrn_orient_matrix_UB_23      -0.0301314000
_diffrn_orient_matrix_UB_31      -0.0160347000
_diffrn_orient_matrix_UB_32      -0.0320631000
_diffrn_orient_matrix_UB_33      0.0181997000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_unetI/netI     0.0641
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15424
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_min         2.866
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.734
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83332
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'CrysAlisPro, Agilent Technologies, Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) (compiled Aug 2 2013,16:46:58) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_description       block
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.930
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         5952
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0688
_refine_ls_R_factor_gt           0.0483
_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)+(0.0444P)²+8.9585P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1193
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4510
_reflns_number_total             5952
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ce01456a2.cif
_cod_data_source_block           20140813-2
_cod_depositor_comments
'Adding full bibliography for 7218054--7218059.cif.'
_cod_database_code               7218059
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-2
_chemical_oxdiff_formula         'Cd C H N O'
_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   0.911
_shelx_estimated_absorpt_t_min   0.832
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O7-C27
 1.43 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O7) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C13) \\sim Ueq, Uanis(C25)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C11(H11A,H11B), C12(H12A,H12B), C20(H20A,H20B), C24(H24A,H24B),
 C25(H25A,H25B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C14(H14), C15(H15), C16(H16),
 C17(H17), C21(H21), C22(H22)
4.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C)
4.d Idealised tetrahedral OH refined as rotating group:
 O7(H7)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cd1 Cd 0.33273(2) 0.98642(2) 0.42151(2) 0.03643(13) Uani 1 1 d . .
O1 O 0.24765(12) 0.9116(3) 0.43149(18) 0.0547(9) Uani 1 1 d . .
O2 O 0.17960(12) 0.9880(3) 0.3903(2) 0.0720(12) Uani 1 1 d . .
O3 O 0.25232(11) 1.0396(2) 0.36238(19) 0.0510(8) Uani 1 1 d . .
O4 O 0.36089(14) 1.1094(3) 0.3351(2) 0.0732(11) Uani 1 1 d . .
O5 O 0.42120(14) 1.0376(3) 0.3973(2) 0.0784(12) Uani 1 1 d . .
O6 O 0.43794(15) 1.1444(3) 0.3154(2) 0.0842(13) Uani 1 1 d . .
N1 N 0.22577(14) 0.9791(3) 0.3943(2) 0.0457(10) Uani 1 1 d . .
N2 N 0.40779(17) 1.0984(3) 0.3481(2) 0.0549(11) Uani 1 1 d . .
N3 N 0.33836(13) 0.8733(3) 0.32477(19) 0.0395(9) Uani 1 1 d . .
N4 N 0.30026(13) 0.8675(3) 0.27385(18) 0.0394(9) Uani 1 1 d . .
N5 N 0.30982(12) 0.7931(3) 0.22801(18) 0.0350(8) Uani 1 1 d . .
N7 N 0.31545(12) 0.8912(3) 0.00342(19) 0.0376(8) Uani 1 1 d . .
N8 N 0.36605(13) 0.8724(3) 0.50402(19) 0.0399(9) Uani 1 1 d . .
N9 N 0.40984(13) 0.7869(3) 0.5890(2) 0.0427(9) Uani 1 1 d . .
N10 N 0.47487(14) 0.6704(3) 0.6297(2) 0.0475(10) Uani 1 1 d . .
N11 N 0.46746(15) 0.5870(3) 0.6697(2) 0.0600(12) Uani 1 1 d . .
N12 N 0.49651(17) 0.5184(4) 0.6480(3) 0.0653(13) Uani 1 1 d . .
N16 N 0.29207(12) 0.8016(2) 0.09571(17) 0.0332(8) Uani 1 1 d . .
C1 C 0.37357(15) 0.8018(3) 0.3107(2) 0.0357(10) Uani 1 1 d . .
C2 C 0.41966(16) 0.7782(4) 0.3479(3) 0.0447(11) Uani 1 1 d . .
H2 H 0.4324 0.8132 0.3894 0.054 Uiso 1 1 calc R .
C3 C 0.44543(18) 0.7012(4) 0.3206(3) 0.0539(13) Uani 1 1 d . .
H3 H 0.4766 0.6839 0.3441 0.065 Uiso 1 1 calc R .
C4 C 0.42653(17) 0.6470(4) 0.2581(3) 0.0530(13) Uani 1 1 d . .
H4 H 0.4454 0.5948 0.2417 0.064 Uiso 1 1 calc R .
C5 C 0.38108(16) 0.6691(3) 0.2209(2) 0.0436(11) Uani 1 1 d . .
H5 H 0.3682 0.6333 0.1799 0.052 Uiso 1 1 calc R .
C6 C 0.35523(15) 0.7493(3) 0.2488(2) 0.0337(9) Uani 1 1 d . .
C7 C 0.27332(15) 0.7717(3) 0.1657(2) 0.0390(10) Uani 1 1 d . .
H7A H 0.2662 0.7016 0.1644 0.047 Uiso 1 1 calc R .
H7B H 0.2421 0.8063 0.1724 0.047 Uiso 1 1 calc R .
C8 C 0.30989(16) 0.7379(3) 0.0453(2) 0.0414(11) Uani 1 1 d . .
H8 H 0.3117 0.6696 0.0493 0.050 Uiso 1 1 calc R .
C9 C 0.32424(16) 0.7928(3) -0.0109(2) 0.0411(11) Uani 1 1 d . .
H9 H 0.3379 0.7685 -0.0529 0.049 Uiso 1 1 calc R .
C10 C 0.29572(15) 0.8944(3) 0.0683(2) 0.0357(10) Uani 1 1 d . .
C11 C 0.2798(2) 0.9853(4) 0.1066(3) 0.0588(14) Uani 1 1 d . .
H11A H 0.2907 0.9803 0.1589 0.071 Uiso 1 1 calc R .
H11B H 0.2968 1.0416 0.0869 0.071 Uiso 1 1 calc R .
C12 C 0.2247(3) 1.0031(5) 0.0986(4) 0.084(2) Uani 1 1 d . .
H12A H 0.2070 0.9465 0.1166 0.101 Uiso 1 1 calc R .
H12B H 0.2135 1.0130 0.0469 0.101 Uiso 1 1 calc R .
C13 C 0.2129(3) 1.0971(6) 0.1446(5) 0.138(3) Uani 1 1 d . U
H13A H 0.2346 1.1501 0.1321 0.207 Uiso 1 1 calc GR .
H13B H 0.2184 1.0828 0.1965 0.207 Uiso 1 1 calc GR .
H13C H 0.1783 1.1161 0.1332 0.207 Uiso 1 1 calc GR .
C14 C 0.52871(19) 0.7115(4) 0.5255(3) 0.0627(15) Uani 1 1 d . .
H14 H 0.5189 0.7767 0.5179 0.075 Uiso 1 1 calc R .
C15 C 0.5626(2) 0.6677(5) 0.4841(3) 0.0746(18) Uani 1 1 d . .
H15 H 0.5756 0.7034 0.4461 0.089 Uiso 1 1 calc R .
C16 C 0.5787(2) 0.5693(6) 0.4970(3) 0.0727(17) Uani 1 1 d . .
H16 H 0.6030 0.5428 0.4686 0.087 Uiso 1 1 calc R .
C17 C 0.5596(2) 0.5128(5) 0.5498(3) 0.0673(16) Uani 1 1 d . .
H17 H 0.5698 0.4478 0.5575 0.081 Uiso 1 1 calc R .
C18 C 0.52385(17) 0.5564(4) 0.5921(3) 0.0529(13) Uani 1 1 d . .
C19 C 0.50954(16) 0.6539(4) 0.5797(3) 0.0469(12) Uani 1 1 d . .
C20 C 0.44848(18) 0.7594(4) 0.6478(3) 0.0540(13) Uani 1 1 d . .
H20A H 0.4725 0.8129 0.6555 0.065 Uiso 1 1 calc R .
H20B H 0.4326 0.7494 0.6936 0.065 Uiso 1 1 calc R .
C21 C 0.36946(17) 0.7299(4) 0.5645(3) 0.0528(13) Uani 1 1 d . .
H21 H 0.3620 0.6669 0.5808 0.063 Uiso 1 1 calc R .
C22 C 0.34290(17) 0.7822(4) 0.5126(3) 0.0485(12) Uani 1 1 d . .
H22 H 0.3134 0.7612 0.4863 0.058 Uiso 1 1 calc R .
C23 C 0.40638(16) 0.8733(3) 0.5520(2) 0.0385(10) Uani 1 1 d . .
C24 C 0.4408(2) 0.9589(4) 0.5669(3) 0.0659(16) Uani 1 1 d . .
H24A H 0.4377 1.0037 0.5250 0.079 Uiso 1 1 calc R .
H24B H 0.4754 0.9358 0.5728 0.079 Uiso 1 1 calc R .
C25 C 0.4275(2) 1.0171(5) 0.6412(4) 0.088(2) Uani 1 1 d . U
H25A H 0.3928 1.0398 0.6350 0.106 Uiso 1 1 calc R .
H25B H 0.4303 0.9717 0.6827 0.106 Uiso 1 1 calc R .
C26 C 0.4588(3) 1.0975(7) 0.6575(5) 0.146(4) Uani 1 1 d . .
H26A H 0.4597 1.1384 0.6144 0.219 Uiso 1 1 calc GR .
H26B H 0.4923 1.0746 0.6724 0.219 Uiso 1 1 calc GR .
H26C H 0.4462 1.1350 0.6970 0.219 Uiso 1 1 calc GR .
O7 O 0.1611(3) 0.8106(7) 0.2050(6) 0.219(4) Uani 1 1 d D U
H7 H 0.1598 0.8048 0.1599 0.329 Uiso 1 1 calc GR .
C27 C 0.1358(4) 0.8847(8) 0.2215(6) 0.173(4) Uani 1 1 d D U
H27A H 0.1354 0.9322 0.1822 0.260 Uiso 1 1 calc GR .
H27B H 0.1507 0.9136 0.2664 0.260 Uiso 1 1 calc GR .
H27C H 0.1018 0.8648 0.2285 0.260 Uiso 1 1 calc GR .
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 O5 170.30(13) . .
O3 Cd1 O1 51.75(11) . .
O3 Cd1 O4 79.55(12) . .
O3 Cd1 O5 130.00(12) . .
O4 Cd1 O1 130.42(12) . .
O4 Cd1 O5 50.50(12) . .
N3 Cd1 O1 84.29(12) . .
N3 Cd1 O3 88.34(12) . .
N3 Cd1 O4 85.79(14) . .
N3 Cd1 O5 86.22(13) . .
N7 Cd1 O1 91.01(12) 6_576 .
N7 Cd1 O3 81.69(11) 6_576 .
N7 Cd1 O4 90.46(14) 6_576 .
N7 Cd1 O5 98.67(13) 6_576 .
N7 Cd1 N3 169.84(12) 6_576 .
N8 Cd1 O1 89.07(12) . .
N8 Cd1 O3 140.75(12) . .
N8 Cd1 O4 139.41(13) . .
N8 Cd1 O5 88.97(13) . .
N8 Cd1 N3 90.09(13) . .
N8 Cd1 N7 98.86(12) . 6_576
N1 O1 Cd1 92.8(3) . .
N1 O3 Cd1 96.4(2) . .
N2 O4 Cd1 98.5(3) . .
N2 O5 Cd1 95.1(3) . .
O1 N1 O3 118.2(4) . .
O2 N1 O1 121.5(4) . .
O2 N1 O3 120.3(4) . .
O5 N2 O4 115.8(4) . .
O6 N2 O4 122.2(5) . .
O6 N2 O5 122.0(5) . .
N4 N3 Cd1 118.1(3) . .
N4 N3 C1 108.9(3) . .
C1 N3 Cd1 132.9(3) . .
N3 N4 N5 107.7(3) . .
N4 N5 C6 111.2(3) . .
N4 N5 C7 118.7(3) . .
C6 N5 C7 130.1(4) . .
C9 N7 Cd1 122.0(3) . 6_575
C10 N7 Cd1 131.5(3) . 6_575
C10 N7 C9 106.5(4) . .
C22 N8 Cd1 121.3(3) . .
C23 N8 Cd1 132.5(3) . .
C23 N8 C22 106.2(4) . .
C21 N9 C20 125.3(4) . .
C23 N9 C20 126.7(4) . .
C23 N9 C21 108.0(4) . .
N11 N10 C20 118.6(4) . .
C19 N10 N11 110.5(4) . .
C19 N10 C20 130.9(4) . .
N12 N11 N10 108.7(4) . .
N11 N12 C18 108.4(4) . .
C8 N16 C7 124.5(4) . .
C10 N16 C7 127.9(4) . .
C10 N16 C8 107.6(3) . .
N3 C1 C2 131.0(4) . .
C6 C1 N3 108.0(4) . .
C6 C1 C2 121.0(4) . .
C3 C2 C1 116.8(4) . .
C2 C3 C4 122.2(4) . .
C5 C4 C3 121.7(4) . .
C4 C5 C6 115.6(4) . .
N5 C6 C1 104.2(3) . .
N5 C6 C5 133.1(4) . .
C1 C6 C5 122.6(4) . .
N16 C7 N5 111.4(3) . .
C9 C8 N16 106.9(4) . .
C8 C9 N7 109.3(4) . .
N7 C10 N16 109.7(4) . .
N7 C10 C11 125.9(4) . .
N16 C10 C11 124.4(4) . .
C12 C11 C10 113.8(5) . .
C11 C12 C13 108.6(6) . .
C15 C14 C19 116.4(6) . .
C14 C15 C16 121.8(6) . .
C17 C16 C15 121.7(6) . .
C16 C17 C18 117.2(6) . .
N12 C18 C17 131.3(5) . .
C19 C18 N12 108.5(5) . .
C19 C18 C17 120.2(5) . .
N10 C19 C14 133.4(5) . .
N10 C19 C18 103.9(4) . .
C14 C19 C18 122.7(5) . .
N10 C20 N9 111.8(4) . .
C22 C21 N9 106.6(4) . .
C21 C22 N8 109.5(4) . .
N8 C23 N9 109.7(4) . .
N8 C23 C24 125.4(4) . .
N9 C23 C24 124.7(4) . .
C23 C24 C25 110.9(5) . .
C26 C25 C24 113.0(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.499(3) .
Cd1 O3 2.424(3) .
Cd1 O4 2.445(4) .
Cd1 O5 2.525(4) .
Cd1 N3 2.343(3) .
Cd1 N7 2.297(3) 6_576
Cd1 N8 2.280(3) .
O1 N1 1.252(5) .
O2 N1 1.230(5) .
O3 N1 1.254(5) .
O4 N2 1.260(5) .
O5 N2 1.244(5) .
O6 N2 1.208(5) .
N3 N4 1.317(4) .
N3 C1 1.386(5) .
N4 N5 1.344(4) .
N5 C6 1.371(5) .
N5 C7 1.457(5) .
N7 Cd1 2.297(3) 6_575
N7 C9 1.382(5) .
N7 C10 1.326(5) .
N8 C22 1.384(6) .
N8 C23 1.325(5) .
N9 C20 1.467(5) .
N9 C21 1.368(6) .
N9 C23 1.349(5) .
N10 N11 1.366(5) .
N10 C19 1.362(6) .
N10 C20 1.446(6) .
N11 N12 1.289(6) .
N12 C18 1.391(7) .
N16 C7 1.457(5) .
N16 C8 1.369(5) .
N16 C10 1.359(5) .
C1 C2 1.388(6) .
C1 C6 1.384(5) .
C2 C3 1.362(6) .
C3 C4 1.409(6) .
C4 C5 1.369(6) .
C5 C6 1.402(6) .
C8 C9 1.341(6) .
C10 C11 1.491(6) .
C11 C12 1.482(8) .
C12 C13 1.568(9) .
C14 C15 1.355(8) .
C14 C19 1.383(7) .
C15 C16 1.415(9) .
C16 C17 1.355(8) .
C17 C18 1.400(7) .
C18 C19 1.388(7) .
C21 C22 1.334(6) .
C23 C24 1.490(7) .
C24 C25 1.625(9) .
C25 C26 1.389(9) .
O7 C27 1.258(9) .
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
Cd1 O1 N1 O2 -168.8(4) .
Cd1 O1 N1 O3 9.5(4) .
Cd1 O3 N1 O1 -9.8(4) .
Cd1 O3 N1 O2 168.5(4) .
Cd1 O4 N2 O5 -2.4(5) .
Cd1 O4 N2 O6 178.3(4) .
Cd1 O5 N2 O4 2.3(4) .
Cd1 O5 N2 O6 -178.4(4) .
Cd1 N3 N4 N5 -175.0(2) .
Cd1 N3 C1 C2 -5.1(7) .
Cd1 N3 C1 C6 174.0(3) .
Cd1 N7 C9 C8 -178.9(3) 6_575
Cd1 N7 C10 N16 179.0(2) 6_575
Cd1 N7 C10 C11 -1.2(6) 6_575
Cd1 N8 C22 C21 -179.3(3) .
Cd1 N8 C23 N9 179.6(3) .
Cd1 N8 C23 C24 3.6(7) .
N3 N4 N5 C6 -0.4(4) .
N3 N4 N5 C7 -179.3(3) .
N3 C1 C2 C3 178.7(5) .
N3 C1 C6 N5 0.7(4) .
N3 C1 C6 C5 -177.9(4) .
N4 N3 C1 C2 179.9(4) .
N4 N3 C1 C6 -1.0(5) .
N4 N5 C6 C1 -0.2(4) .
N4 N5 C6 C5 178.2(4) .
N4 N5 C7 N16 107.7(4) .
N7 C10 C11 C12 100.9(6) .
N8 C23 C24 C25 99.2(6) .
N9 C21 C22 N8 -0.2(6) .
N9 C23 C24 C25 -76.2(6) .
N10 N11 N12 C18 -0.3(6) .
N11 N10 C19 C14 177.4(5) .
N11 N10 C19 C18 -1.2(5) .
N11 N10 C20 N9 -111.2(4) .
N11 N12 C18 C17 -179.0(5) .
N11 N12 C18 C19 -0.5(6) .
N12 C18 C19 N10 1.1(5) .
N12 C18 C19 C14 -177.7(4) .
N16 C8 C9 N7 -0.2(5) .
N16 C10 C11 C12 -79.3(6) .
C1 N3 N4 N5 0.8(4) .
C1 C2 C3 C4 -0.5(7) .
C2 C1 C6 N5 179.9(4) .
C2 C1 C6 C5 1.3(7) .
C2 C3 C4 C5 0.3(8) .
C3 C4 C5 C6 0.6(7) .
C4 C5 C6 N5 -179.6(4) .
C4 C5 C6 C1 -1.4(6) .
C6 N5 C7 N16 -71.1(5) .
C6 C1 C2 C3 -0.3(7) .
C7 N5 C6 C1 178.6(4) .
C7 N5 C6 C5 -3.0(7) .
C7 N16 C8 C9 -179.1(3) .
C7 N16 C10 N7 179.0(3) .
C7 N16 C10 C11 -0.8(7) .
C8 N16 C7 N5 104.3(4) .
C8 N16 C10 N7 -0.5(4) .
C8 N16 C10 C11 179.6(4) .
C9 N7 C10 N16 0.4(4) .
C9 N7 C10 C11 -179.8(4) .
C10 N7 C9 C8 -0.1(5) .
C10 N16 C7 N5 -75.1(5) .
C10 N16 C8 C9 0.4(5) .
C10 C11 C12 C13 177.1(5) .
C14 C15 C16 C17 2.5(9) .
C15 C14 C19 N10 -178.2(5) .
C15 C14 C19 C18 0.2(7) .
C15 C16 C17 C18 -1.2(9) .
C16 C17 C18 N12 177.9(5) .
C16 C17 C18 C19 -0.4(8) .
C17 C18 C19 N10 179.8(4) .
C17 C18 C19 C14 1.0(8) .
C19 N10 N11 N12 1.0(5) .
C19 N10 C20 N9 72.4(6) .
C19 C14 C15 C16 -1.9(8) .
C20 N9 C21 C22 178.3(4) .
C20 N9 C23 N8 -178.6(4) .
C20 N9 C23 C24 -2.6(7) .
C20 N10 N11 N12 -176.1(4) .
C20 N10 C19 C14 -6.0(8) .
C20 N10 C19 C18 175.4(5) .
C21 N9 C20 N10 60.1(6) .
C21 N9 C23 N8 -1.3(5) .
C21 N9 C23 C24 174.8(5) .
C22 N8 C23 N9 1.1(5) .
C22 N8 C23 C24 -174.9(5) .
C23 N8 C22 C21 -0.6(5) .
C23 N9 C20 N10 -122.9(5) .
C23 N9 C21 C22 0.8(5) .
C23 C24 C25 C26 179.7(6) .
