#------------------------------------------------------------------------------
#$Date: 2025-08-04 10:03:09 +0300 (Mon, 04 Aug 2025) $
#$Revision: 301442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/65/7056597.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_7056597
loop_
_publ_author_name
'Zhang, Mei-Li'
'Wang, Ji-Jiang'
'Ma, Zhen-Zhen'
'Qiao, Lei'
_publ_section_title
;
 Color tunable entangled coordination polymers based on long flexible
 bis(imidazole) ligands and phenylenediacetate
;
_journal_issue                   20
_journal_name_full               'New J. Chem.'
_journal_page_first              12139
_journal_page_last               12146
_journal_paper_doi               10.1039/C7NJ00645D
_journal_volume                  41
_journal_year                    2017
_chemical_absolute_configuration unk
_chemical_formula_moiety         '0.5(C120 H100 Cd4 N16 O16)'
_chemical_formula_sum            'C60 H50 Cd2 N8 O8'
_chemical_formula_weight         1235.94
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_primary     direct
_audit_creation_date             2017-06-06
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2017-09-12 deposited with the CCDC.
2017-09-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 132.795(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.5339(13)
_cell_length_b                   16.7657(12)
_cell_length_c                   12.7103(9)
_cell_measurement_reflns_used    7698
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.64
_cell_measurement_theta_min      2.32
_cell_volume                     2741.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.7769
_diffrn_measured_fraction_theta_max 0.7769
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0117
_diffrn_reflns_av_unetI/netI     0.0216
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7640
_diffrn_reflns_theta_full        26.0000
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    0.839
_exptl_absorpt_correction_T_max  0.8916
_exptl_absorpt_correction_T_min  0.8637
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.4970
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             1249.2953
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.2322
_refine_diff_density_min         -0.2592
_refine_diff_density_rms         0.0323
_refine_ls_abs_structure_details
'Flack, H. D. (1983). Acta Cryst. A39, 876-881.'
_refine_ls_abs_structure_Flack   0.022(17)
_refine_ls_d_res_high            0.8255
_refine_ls_d_res_low             6.4331
_refine_ls_goodness_of_fit_ref   1.0334
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    47
_refine_ls_number_parameters     353
_refine_ls_number_reflns         3977
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.0334
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0180
_refine_ls_shift/su_max          0.1975
_refine_ls_shift/su_mean         0.0295
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0348P)²+0.5295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0515
_reflns_Friedel_coverage         0.540
_reflns_limit_h_max              21
_reflns_limit_h_min              -21
_reflns_limit_k_max              20
_reflns_limit_k_min              -15
_reflns_limit_l_max              15
_reflns_limit_l_min              -15
_reflns_number_gt                3861
_reflns_number_total             3977
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c7nj00645d2.cif
_cod_data_source_block           3
_cod_original_cell_volume        2741.7(4)
_cod_original_sg_symbol_Hall     ' C 2y'
_cod_database_code               7056597
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C0aa(H0aa,H0ab), C9(H9a,H9b), C14(H14a,H14b)
2.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C8(H8), C11(H11), C12(H12), C16(H16), C17(H17),
 C19(H19), C20(H20), C22(H22), C23(H23), C25(H25), C26(H26), C27(H27), C29(H29),
  C30(H30), C13(H13), C28(H28)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z
3 x+1/2,y+1/2,z
4 -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_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Cd1 Cd 0.5 0.451733(9) 0.5 0.04152(8) Uani 1.000000 2 S T P
Cd2 Cd 0.5 1.479969(9) 1.0 0.04321(8) Uani 1.000000 2 S T P
N1 N 0.58349(17) 0.53055(14) 0.6930(2) 0.0487(5) Uani 1.000000 1 . . .
C13 C 0.7037(2) 0.6027(2) 0.8862(3) 0.0672(8) Uani 1.000000 1 . . .
C28 C 0.6549(2) 1.3269(3) 0.9142(4) 0.0868(13) Uani 1.000000 1 . . .
N4 N 0.55410(16) 1.40054(15) 0.9227(2) 0.0513(5) Uani 1.000000 1 . . .
O1 O 0.64843(18) 0.46063(16) 0.5175(3) 0.0725(6) Uani 1.000000 1 . . .
O2 O 0.63435(17) 0.35991(13) 0.6088(3) 0.0653(5) Uani 1.000000 1 . . .
O3 O 0.89898(16) 0.07251(14) 0.8278(2) 0.0645(6) Uani 1.000000 1 . . .
O4 O 0.8082(2) -0.03661(16) 0.7496(3) 0.0809(7) Uani 1.000000 1 . . .
C1 C 0.68329(18) 0.39872(15) 0.5876(2) 0.0426(5) Uani 1.000000 1 . . .
C0aa C 0.7882(2) 0.36866(17) 0.6480(3) 0.0550(7) Uani 1.000000 1 . . .
H0aa H 0.8201(2) 0.40932(17) 0.6343(3) 0.0661(8) Uiso 1.000000 1 R . .
H0ab H 0.8329(2) 0.36025(17) 0.7504(3) 0.0661(8) Uiso 1.000000 1 R . .
C1aa C 0.78142(17) 0.29199(17) 0.5796(3) 0.0477(6) Uani 1.000000 1 . . .
C4 C 0.7878(2) 0.2941(2) 0.4761(3) 0.0651(8) Uani 1.000000 1 . . .
H4 H 0.7964(2) 0.3426(2) 0.4497(3) 0.0781(10) Uiso 1.000000 1 R . .
C5 C 0.7815(3) 0.2247(3) 0.4130(4) 0.0749(10) Uani 1.000000 1 . . .
H5 H 0.7859(3) 0.2263(3) 0.3441(4) 0.0898(12) Uiso 1.000000 1 R . .
C6 C 0.7685(2) 0.1522(2) 0.4517(3) 0.0620(8) Uani 1.000000 1 . . .
H6 H 0.7661(2) 0.1055(2) 0.4101(3) 0.0744(9) Uiso 1.000000 1 R . .
C7 C 0.75911(19) 0.14826(17) 0.5519(3) 0.0481(6) Uani 1.000000 1 . . .
C8 C 0.76717(19) 0.21900(17) 0.6153(3) 0.0455(5) Uani 1.000000 1 . . .
H8 H 0.76287(19) 0.21740(17) 0.6843(3) 0.0546(7) Uiso 1.000000 1 R . .
C9 C 0.7364(2) 0.06969(17) 0.5824(3) 0.0516(6) Uani 1.000000 1 . . .
H9a H 0.6744(2) 0.07619(17) 0.5668(3) 0.0619(7) Uiso 1.000000 1 R . .
H9b H 0.7199(2) 0.03150(17) 0.5122(3) 0.0619(7) Uiso 1.000000 1 R . .
C10 C 0.8206(2) 0.03308(16) 0.7310(3) 0.0449(6) Uani 1.000000 1 . . .
C11 C 0.6870(2) 0.5521(2) 0.7909(3) 0.0641(8) Uani 1.000000 1 . . .
H11 H 0.7371(2) 0.5343(2) 0.7908(3) 0.0769(10) Uiso 1.000000 1 R . .
C12 C 0.5405(2) 0.56933(19) 0.7307(3) 0.0485(6) Uani 1.000000 1 . . .
H12 H 0.4704(2) 0.56616(19) 0.6827(3) 0.0581(8) Uiso 1.000000 1 R . .
N2 N 0.61008(19) 0.61409(14) 0.8471(2) 0.0515(5) Uani 1.000000 1 . . .
C14 C 0.5876(3) 0.66679(19) 0.9151(4) 0.0634(8) Uani 1.000000 1 . . .
H14a H 0.5219(3) 0.65113(19) 0.8846(4) 0.0760(10) Uiso 1.000000 1 R . .
H14b H 0.6412(3) 0.65988(19) 1.0182(4) 0.0760(10) Uiso 1.000000 1 R . .
C15 C 0.58214(18) 0.75411(16) 0.8799(3) 0.0441(5) Uani 1.000000 1 . . .
C16 C 0.5879(2) 0.81004(18) 0.9650(3) 0.0508(6) Uani 1.000000 1 . . .
H16 H 0.5964(2) 0.79291(18) 1.0420(3) 0.0610(7) Uiso 1.000000 1 R . .
C17 C 0.5812(2) 0.88968(18) 0.9384(3) 0.0516(6) Uani 1.000000 1 . . .
H17 H 0.5868(2) 0.92571(18) 0.9990(3) 0.0619(7) Uiso 1.000000 1 R . .
C18 C 0.56625(17) 0.91842(17) 0.8225(2) 0.0436(5) Uani 1.000000 1 . . .
C19 C 0.5589(2) 0.86182(18) 0.7360(3) 0.0556(7) Uani 1.000000 1 . . .
H19 H 0.5484(2) 0.87864(18) 0.6572(3) 0.0668(8) Uiso 1.000000 1 R . .
C20 C 0.5670(2) 0.78104(18) 0.7644(3) 0.0562(7) Uani 1.000000 1 . . .
H20 H 0.5621(2) 0.74454(18) 0.7050(3) 0.0674(8) Uiso 1.000000 1 R . .
C21 C 0.55736(17) 1.00504(17) 0.7919(2) 0.0448(5) Uani 1.000000 1 . . .
C22 C 0.5120(2) 1.05687(18) 0.8214(3) 0.0530(6) Uani 1.000000 1 . . .
H22 H 0.4879(2) 1.03684(18) 0.8625(3) 0.0636(8) Uiso 1.000000 1 R . .
C23 C 0.5019(2) 1.13742(19) 0.7912(3) 0.0541(6) Uani 1.000000 1 . . .
H23 H 0.4716(2) 1.17076(19) 0.8125(3) 0.0649(8) Uiso 1.000000 1 R . .
C24 C 0.5368(2) 1.16880(17) 0.7293(3) 0.0460(6) Uani 1.000000 1 . . .
C25 C 0.5824(2) 1.11813(18) 0.7010(3) 0.0535(6) Uani 1.000000 1 . . .
H25 H 0.6068(2) 1.13842(18) 0.6604(3) 0.0643(8) Uiso 1.000000 1 R . .
C26 C 0.5930(2) 1.03732(18) 0.7316(3) 0.0537(6) Uani 1.000000 1 . . .
H26 H 0.6244(2) 1.00438(18) 0.7115(3) 0.0644(7) Uiso 1.000000 1 R . .
C27 C 0.5185(2) 1.25527(18) 0.6832(3) 0.0572(7) Uani 1.000000 1 . . .
H27 H 0.4877(2) 1.27111(18) 0.5915(3) 0.0687(8) Uiso 1.000000 1 R . .
N3 N 0.55371(16) 1.31103(14) 0.7959(2) 0.0490(5) Uani 1.000000 1 . . .
C29 C 0.4969(2) 1.3569(2) 0.8056(3) 0.0494(7) Uani 1.000000 1 . . .
H29 H 0.4247(2) 1.3581(2) 0.7371(3) 0.0592(8) Uiso 1.000000 1 R . .
C30 C 0.6546(2) 1.3805(3) 0.9910(4) 0.0857(13) Uani 1.000000 1 . . .
H30 H 0.7137(2) 1.4013(3) 1.0782(4) 0.1028(16) Uiso 1.000000 1 R . .
H13 H 0.7668(2) 0.6257(2) 0.9641(3) 0.0806(10) Uiso 1.000000 1 R . .
H28 H 0.7131(2) 1.3044(3) 0.9370(4) 0.1042(15) Uiso 1.000000 1 R . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cd -0.80532 1.22853 19.22140 17.64440 4.46100 1.60290 0.59460 6.90890 24.70080
87.48250 5.06939983368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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 Cd1 N1 107.77(12) 2_656 .
O1 Cd1 N1 90.05(9) . .
O1 Cd1 N1 85.85(8) 2_656 .
O1 Cd1 N1 90.05(9) 2_656 2_656
O1 Cd1 N1 85.85(8) . 2_656
O1 Cd1 O1 173.05(12) . 2_656
O2 Cd1 N1 133.28(8) . 2_656
O2 Cd1 N1 95.45(8) 2_656 2_656
O2 Cd1 N1 95.45(8) . .
O2 Cd1 N1 133.28(8) 2_656 .
O2 Cd1 O1 53.45(7) 2_656 2_656
O2 Cd1 O1 132.52(8) . 2_656
O2 Cd1 O1 132.52(8) 2_656 .
O2 Cd1 O1 53.45(7) . .
O2 Cd1 O2 97.07(11) . 2_656
N4 Cd2 N4 106.08(13) . 2_657
O3 Cd2 N4 105.93(9) 3_465 .
O3 Cd2 N4 123.67(8) 3_465 2_657
O3 Cd2 N4 105.93(9) 4_667 2_657
O3 Cd2 N4 123.67(8) 4_667 .
O3 Cd2 O3 92.85(11) 4_667 3_465
C11 N1 Cd1 128.5(2) . .
C12 N1 Cd1 125.66(19) . .
C12 N1 C11 105.7(2) . .
N2 C13 C11 106.8(3) . .
H13 C13 C11 126.59(19) . .
H13 C13 N2 126.59(16) . .
C30 C28 N3 106.9(3) . .
H28 C28 N3 126.53(17) . .
H28 C28 C30 126.53(18) . .
C29 N4 Cd2 127.58(18) . 2_657
C30 N4 Cd2 128.2(2) . 2_657
C30 N4 C29 104.1(2) . .
C1 O1 Cd1 89.36(17) . 2_656
C1 O2 Cd1 95.40(16) . 2_656
C10 O3 Cd2 101.92(18) . 4_637
O2 C1 O1 121.6(2) . .
C0aa C1 O1 118.8(2) . .
C0aa C1 O2 119.6(2) . .
H0aa C0aa C1 108.90(15) . .
H0ab C0aa C1 108.90(15) . .
H0ab C0aa H0aa 107.7 . .
C1aa C0aa C1 113.3(2) . .
C1aa C0aa H0aa 108.90(15) . .
C1aa C0aa H0ab 108.90(14) . .
C4 C1aa C0aa 119.7(3) . .
C8 C1aa C0aa 121.6(2) . .
C8 C1aa C4 118.6(3) . .
H4 C4 C1aa 119.9(2) . .
C5 C4 C1aa 120.1(3) . .
C5 C4 H4 119.94(19) . .
H5 C5 C4 119.89(19) . .
C6 C5 C4 120.2(3) . .
C6 C5 H5 119.89(19) . .
H6 C6 C5 119.45(19) . .
C7 C6 C5 121.1(3) . .
C7 C6 H6 119.45(19) . .
C8 C7 C6 117.6(3) . .
C9 C7 C6 119.7(3) . .
C9 C7 C8 122.7(2) . .
C7 C8 C1aa 122.3(2) . .
H8 C8 C1aa 118.84(16) . .
H8 C8 C7 118.84(16) . .
H9a C9 C7 107.82(15) . .
H9b C9 C7 107.82(15) . .
H9b C9 H9a 107.2 . .
C10 C9 C7 117.9(2) . .
C10 C9 H9a 107.82(15) . .
C10 C9 H9b 107.82(14) . .
O4 C10 O3 122.2(3) . .
C9 C10 O3 120.0(2) . .
C9 C10 O4 117.8(3) . .
C13 C11 N1 109.1(3) . .
H11 C11 N1 125.43(17) . .
H11 C11 C13 125.4(2) . .
H12 C12 N1 124.32(16) . .
N2 C12 N1 111.4(3) . .
N2 C12 H12 124.32(17) . .
C12 N2 C13 106.9(2) . .
C14 N2 C13 127.4(3) . .
C14 N2 C12 125.6(3) . .
H14a C14 N2 108.88(17) . .
H14b C14 N2 108.88(18) . .
H14b C14 H14a 107.7 . .
C15 C14 N2 113.4(2) . .
C15 C14 H14a 108.88(18) . .
C15 C14 H14b 108.88(16) . .
C16 C15 C14 117.9(2) . .
C20 C15 C14 124.0(2) . .
C20 C15 C16 118.0(3) . .
H16 C16 C15 119.25(16) . .
C17 C16 C15 121.5(2) . .
C17 C16 H16 119.25(16) . .
H17 C17 C16 119.25(16) . .
C18 C17 C16 121.5(2) . .
C18 C17 H17 119.25(16) . .
C19 C18 C17 116.7(3) . .
C21 C18 C17 121.7(2) . .
C21 C18 C19 121.6(2) . .
H19 C19 C18 119.25(17) . .
C20 C19 C18 121.5(3) . .
C20 C19 H19 119.25(16) . .
C19 C20 C15 120.7(3) . .
H20 C20 C15 119.64(17) . .
H20 C20 C19 119.64(16) . .
C22 C21 C18 121.2(2) . .
C26 C21 C18 121.4(2) . .
C26 C21 C22 117.4(3) . .
H22 C22 C21 119.18(17) . .
C23 C22 C21 121.6(3) . .
C23 C22 H22 119.18(17) . .
H23 C23 C22 119.80(17) . .
C24 C23 C22 120.4(3) . .
C24 C23 H23 119.80(16) . .
C25 C24 C23 118.3(3) . .
C27 C24 C23 121.6(2) . .
C27 C24 C25 119.9(3) . .
H25 C25 C24 119.29(17) . .
C26 C25 C24 121.4(3) . .
C26 C25 H25 119.29(17) . .
C25 C26 C21 120.8(3) . .
H26 C26 C21 119.59(17) . .
H26 C26 C25 119.59(17) . .
H27 C27 C24 123.25(14) . .
N3 C27 C24 113.5(2) . .
N3 C27 H27 123.25(14) . .
C27 N3 C28 125.3(2) . .
C29 N3 C28 106.3(2) . .
C29 N3 C27 128.5(2) . .
N3 C29 N4 112.6(2) . .
H29 C29 N4 123.70(15) . .
H29 C29 N3 123.70(15) . .
N4 C30 C28 110.1(3) . .
H30 C30 C28 124.93(18) . .
H30 C30 N4 124.93(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.242(2) .
Cd1 N1 2.242(2) 2_656
Cd1 O1 2.461(2) 2_656
Cd1 O1 2.461(2) .
Cd1 O2 2.325(2) .
Cd1 O2 2.325(2) 2_656
Cd2 N4 2.215(2) .
Cd2 N4 2.215(2) 2_657
Cd2 O3 2.251(2) 3_465
Cd2 O3 2.251(2) 4_667
N1 C11 1.379(4) .
N1 C12 1.309(4) .
C13 C11 1.338(5) .
C13 N2 1.367(4) .
C13 H13 0.9300 .
C28 N3 1.362(4) .
C28 C30 1.329(5) .
C28 H28 0.9300 .
N4 C29 1.314(4) .
N4 C30 1.376(4) .
O1 C1 1.227(3) .
O2 C1 1.243(3) .
O3 C10 1.242(4) .
O4 C10 1.240(4) .
C1 C0aa 1.520(4) .
C0aa H0aa 0.9700 .
C0aa H0ab 0.9700 .
C0aa C1aa 1.510(4) .
C1aa C4 1.396(4) .
C1aa C8 1.386(4) .
C4 H4 0.9300 .
C4 C5 1.375(6) .
C5 H5 0.9300 .
C5 C6 1.386(5) .
C6 H6 0.9300 .
C6 C7 1.392(4) .
C7 C8 1.386(4) .
C7 C9 1.502(4) .
C8 H8 0.9300 .
C9 H9a 0.9700 .
C9 H9b 0.9700 .
C9 C10 1.528(4) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C12 N2 1.338(4) .
N2 C14 1.464(4) .
C14 H14a 0.9700 .
C14 H14b 0.9700 .
C14 C15 1.515(4) .
C15 C16 1.383(4) .
C15 C20 1.377(4) .
C16 H16 0.9300 .
C16 C17 1.363(4) .
C17 H17 0.9300 .
C17 C18 1.396(4) .
C18 C19 1.391(4) .
C18 C21 1.484(4) .
C19 H19 0.9300 .
C19 C20 1.384(4) .
C20 H20 0.9300 .
C21 C22 1.390(4) .
C21 C26 1.386(4) .
C22 H22 0.9300 .
C22 C23 1.382(4) .
C23 H23 0.9300 .
C23 C24 1.386(4) .
C24 C25 1.373(4) .
C24 C27 1.514(4) .
C25 H25 0.9300 .
C25 C26 1.387(4) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C27 N3 1.451(4) .
N3 C29 1.329(4) .
C29 H29 0.9300 .
C30 H30 0.9300 .
