#------------------------------------------------------------------------------
#$Date: 2019-09-21 06:29:44 +0300 (Sat, 21 Sep 2019) $
#$Revision: 218660 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/40/7234034.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_7234034
loop_
_publ_author_name
'Li, Caiping'
'Lu, Lu'
'Wang, Jun'
'Yang, Qianqian'
'Ma, Deyun'
'Alowais, Ahmad'
'Alarifi, Abdullah'
'Kumar, Abhinav'
'Muddassir, Mohd.'
_publ_section_title
;
 Temperature tuned syntheses of two new d10-based Cd(ii) cluster
 metal--organic frameworks: luminescence sensing and photocatalytic
 properties
;
_journal_issue                   51
_journal_name_full               'RSC Advances'
_journal_page_first              29864
_journal_paper_doi               10.1039/C9RA05167H
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C34 H30 Cd N4 O10'
_chemical_formula_sum            'C34 H30 Cd N4 O10'
_chemical_formula_weight         767.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_block_doi                 10.5517/ccdc.csd.cc222wfh
_audit_creation_date             2017-12-23
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2019-04-11 deposited with the CCDC.    2019-09-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.979(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.205(3)
_cell_length_b                   27.207(7)
_cell_length_c                   11.915(3)
_cell_measurement_reflns_used    4214
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.720
_cell_measurement_theta_min      2.280
_cell_volume                     3290.2(15)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0715
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16248
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.497
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5589
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/3 (Bruker,2014/3) was used for absorption correction.
wR2(int) was 0.0855 before and 0.0675 after correction.
The Ratio of minimum to maximum transmission is 0.7496.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_description       block
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.077
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.329
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     446
_refine_ls_number_reflns         5791
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0492
_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)+(0.0873P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1507
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4379
_reflns_number_total             5791
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ra05167h2.cif
_cod_data_source_block           w5
_cod_original_formula_sum        'C34 H30 Cd N4 O10 '
_cod_database_code               7234034
_shelx_shelxl_version_number     2014/7
_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   0.886
_shelx_estimated_absorpt_t_min   0.874
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Riding coordinates:
 O4(H4), O8(H8), N2(H2), N4(H4A)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C11(H11), C12(H12), C14(H14), C15(H15), C18(H18),
 C20(H20), C22(H22)
2.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C34(H34A,H34B,
 H34C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Cd1 Cd -0.53528(3) 0.10451(2) 0.27110(3) 0.02394(15) Uani 1 1 d .
O1 O -0.5553(4) 0.05182(14) 0.0695(3) 0.0405(10) Uani 1 1 d .
O2 O -0.6176(4) 0.12812(14) 0.0852(3) 0.0399(9) Uani 1 1 d .
O3 O -0.4955(3) -0.01660(13) -0.3113(3) 0.0313(8) Uani 1 1 d .
O4 O -0.6668(4) 0.00063(14) -0.4352(3) 0.0454(10) Uani 1 1 d .
H4 H -0.6382 -0.0225 -0.4695 0.068 Uiso 1 1 d R
O5 O -0.8015(4) 0.17146(15) -0.3095(3) 0.0513(12) Uani 1 1 d .
O6 O -1.2628(5) 0.35150(15) -0.5734(3) 0.0563(12) Uani 1 1 d .
O7 O -1.5102(4) 0.19497(14) -0.7292(3) 0.0449(10) Uani 1 1 d .
O8 O -1.5791(4) 0.21933(15) -0.9045(3) 0.0567(12) Uani 1 1 d .
H8 H -1.6160 0.1925 -0.9079 0.085 Uiso 1 1 d R
O9 O -1.3600(4) 0.43037(14) -0.9412(3) 0.0434(10) Uani 1 1 d .
O10 O -1.4964(4) 0.37923(14) -1.0434(3) 0.0376(9) Uani 1 1 d .
N1 N 0.2542(4) 0.08500(19) 0.2957(4) 0.0412(12) Uani 1 1 d .
N2 N 0.2288(5) 0.0385(2) 0.3263(5) 0.0653(18) Uani 1 1 d .
H2 H 0.2886 0.0175 0.3493 0.078 Uiso 1 1 d R
N3 N -0.3206(4) 0.09670(15) 0.2367(4) 0.0275(10) Uani 1 1 d .
N4 N -0.3020(4) 0.06282(16) 0.1560(4) 0.0337(11) Uani 1 1 d .
H4A H -0.3644 0.0512 0.1094 0.040 Uiso 1 1 d R
C1 C -0.5987(5) 0.09083(19) 0.0257(4) 0.0303(12) Uani 1 1 d .
C2 C -0.6297(5) 0.09297(18) -0.0998(4) 0.0272(11) Uani 1 1 d .
C3 C -0.7006(5) 0.1313(2) -0.1523(4) 0.0321(12) Uani 1 1 d .
H3 H -0.7255 0.1576 -0.1095 0.038 Uiso 1 1 calc R
C4 C -0.7352(5) 0.1309(2) -0.2681(4) 0.0331(12) Uani 1 1 d .
C5 C -0.7007(5) 0.09108(18) -0.3332(4) 0.0303(12) Uani 1 1 d .
H5 H -0.7262 0.0899 -0.4104 0.036 Uiso 1 1 calc R
C6 C -0.6266(5) 0.05296(18) -0.2789(4) 0.0262(11) Uani 1 1 d .
C7 C -0.5897(5) 0.05429(17) -0.1647(4) 0.0268(11) Uani 1 1 d .
H7 H -0.5378 0.0292 -0.1307 0.032 Uiso 1 1 calc R
C8 C -0.5890(5) 0.00924(18) -0.3446(4) 0.0271(11) Uani 1 1 d .
C9 C -0.8441(6) 0.1740(2) -0.4273(5) 0.0470(16) Uani 1 1 d .
H9A H -0.8814 0.1428 -0.4537 0.056 Uiso 1 1 calc R
H9B H -0.7702 0.1816 -0.4694 0.056 Uiso 1 1 calc R
C10 C -0.9457(5) 0.2136(2) -0.4437(5) 0.0367(13) Uani 1 1 d .
C11 C -0.9413(6) 0.2493(2) -0.5245(5) 0.0423(14) Uani 1 1 d .
H11 H -0.8719 0.2504 -0.5692 0.051 Uiso 1 1 calc R
C12 C -1.0434(7) 0.2843(2) -0.5389(5) 0.0512(17) Uani 1 1 d .
H12 H -1.0431 0.3081 -0.5949 0.061 Uiso 1 1 calc R
C13 C -1.1432(6) 0.2833(2) -0.4702(5) 0.0429(15) Uani 1 1 d .
C14 C -1.1439(6) 0.2483(3) -0.3906(5) 0.0504(16) Uani 1 1 d .
H14 H -1.2113 0.2477 -0.3437 0.060 Uiso 1 1 calc R
C15 C -1.0480(6) 0.2142(2) -0.3780(5) 0.0505(16) Uani 1 1 d .
H15 H -1.0513 0.1902 -0.3228 0.061 Uiso 1 1 calc R
C16 C -1.2507(6) 0.3225(2) -0.4759(5) 0.0528(17) Uani 1 1 d .
H16A H -1.3345 0.3063 -0.4699 0.063 Uiso 1 1 calc R
H16B H -1.2337 0.3439 -0.4110 0.063 Uiso 1 1 calc R
C17 C -1.3347(5) 0.33396(19) -0.6682(4) 0.0343(13) Uani 1 1 d .
C18 C -1.3437(5) 0.36747(19) -0.7590(4) 0.0332(12) Uani 1 1 d .
H18 H -1.3034 0.3981 -0.7500 0.040 Uiso 1 1 calc R
C19 C -1.4119(5) 0.35500(18) -0.8605(4) 0.0270(11) Uani 1 1 d .
C20 C -1.4712(5) 0.30893(18) -0.8746(4) 0.0295(11) Uani 1 1 d .
H20 H -1.5167 0.3004 -0.9436 0.035 Uiso 1 1 calc R
C21 C -1.4622(5) 0.27604(19) -0.7861(4) 0.0303(12) Uani 1 1 d .
C22 C -1.3935(5) 0.28889(19) -0.6821(4) 0.0328(12) Uani 1 1 d .
H22 H -1.3879 0.2667 -0.6224 0.039 Uiso 1 1 calc R
C23 C -1.5206(5) 0.2262(2) -0.8022(4) 0.0346(13) Uani 1 1 d .
C24 C -1.4250(5) 0.39104(19) -0.9572(4) 0.0302(12) Uani 1 1 d .
C25 C 0.0472(7) -0.0209(3) 0.3445(11) 0.127(5) Uani 1 1 d .
H25A H 0.0788 -0.0295 0.4207 0.190 Uiso 1 1 calc GR
H25B H 0.0771 -0.0448 0.2937 0.190 Uiso 1 1 calc GR
H25C H -0.0473 -0.0202 0.3366 0.190 Uiso 1 1 calc GR
C26 C 0.0990(6) 0.0289(3) 0.3172(7) 0.071(2) Uani 1 1 d .
C27 C 0.0360(5) 0.0708(2) 0.2759(6) 0.0439(15) Uani 1 1 d .
C28 C 0.1370(5) 0.1051(2) 0.2646(5) 0.0364(13) Uani 1 1 d .
C29 C 0.1257(5) 0.1560(2) 0.2221(6) 0.0511(17) Uani 1 1 d .
H29A H 0.1348 0.1562 0.1428 0.077 Uiso 1 1 calc GR
H29B H 0.1938 0.1757 0.2612 0.077 Uiso 1 1 calc GR
H29C H 0.0412 0.1690 0.2349 0.077 Uiso 1 1 calc GR
C30 C -0.1793(6) 0.1410(3) 0.3833(5) 0.0540(18) Uani 1 1 d .
H30A H -0.1613 0.1242 0.4539 0.081 Uiso 1 1 calc GR
H30B H -0.2570 0.1608 0.3850 0.081 Uiso 1 1 calc GR
H30C H -0.1060 0.1617 0.3710 0.081 Uiso 1 1 calc GR
C31 C -0.2005(5) 0.10453(19) 0.2904(4) 0.0303(12) Uani 1 1 d .
C32 C -0.1065(5) 0.0756(2) 0.2441(5) 0.0343(13) Uani 1 1 d .
C33 C -0.1760(5) 0.0495(2) 0.1574(5) 0.0432(15) Uani 1 1 d .
C34 C -0.1323(7) 0.0143(3) 0.0743(8) 0.091(3) Uani 1 1 d .
H34A H -0.2039 0.0077 0.0175 0.137 Uiso 1 1 calc GR
H34B H -0.1047 -0.0157 0.1118 0.137 Uiso 1 1 calc GR
H34C H -0.0599 0.0282 0.0395 0.137 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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1016/j.jssc.2019.07.029 2019
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
O2 Cd1 O3 118.13(13) . 3_455
O2 Cd1 O7 75.89(12) . 1_656
O3 Cd1 O7 163.52(13) 3_455 1_656
O10 Cd1 O2 150.80(14) 4_667 .
O10 Cd1 O3 89.66(13) 4_667 3_455
O10 Cd1 O7 78.34(13) 4_667 1_656
O10 Cd1 N1 89.50(17) 4_667 1_455
O10 Cd1 N3 96.94(14) 4_667 .
N1 Cd1 O2 86.33(15) 1_455 .
N1 Cd1 O3 81.38(15) 1_455 3_455
N1 Cd1 O7 109.46(16) 1_455 1_656
N1 Cd1 N3 160.89(17) 1_455 .
N3 Cd1 O2 96.35(14) . .
N3 Cd1 O3 80.69(13) . 3_455
N3 Cd1 O7 89.50(14) . 1_656
C1 O2 Cd1 104.2(3) . .
C8 O3 Cd1 135.0(3) . 3_455
C8 O4 H4 109.6 . .
C4 O5 C9 119.1(4) . .
C17 O6 C16 118.8(5) . .
C23 O7 Cd1 134.1(4) . 1_454
C23 O8 H8 109.5 . .
C24 O10 Cd1 142.4(3) . 4_464
N2 N1 Cd1 117.9(3) . 1_655
C28 N1 Cd1 134.9(4) . 1_655
C28 N1 N2 105.5(4) . .
N1 N2 H2 124.0 . .
C26 N2 N1 112.1(5) . .
C26 N2 H2 123.9 . .
N4 N3 Cd1 113.4(3) . .
C31 N3 Cd1 138.4(4) . .
C31 N3 N4 104.9(4) . .
N3 N4 H4A 123.9 . .
C33 N4 N3 112.4(4) . .
C33 N4 H4A 123.8 . .
O1 C1 O2 121.2(5) . .
O1 C1 C2 118.8(5) . .
O2 C1 C2 120.0(5) . .
C3 C2 C1 121.8(5) . .
C3 C2 C7 119.3(5) . .
C7 C2 C1 118.8(4) . .
C2 C3 H3 119.6 . .
C2 C3 C4 120.8(5) . .
C4 C3 H3 119.6 . .
O5 C4 C3 114.9(5) . .
O5 C4 C5 124.8(5) . .
C3 C4 C5 120.2(5) . .
C4 C5 H5 120.9 . .
C4 C5 C6 118.2(5) . .
C6 C5 H5 120.9 . .
C5 C6 C8 120.2(4) . .
C7 C6 C5 121.1(5) . .
C7 C6 C8 118.7(4) . .
C2 C7 H7 119.9 . .
C6 C7 C2 120.3(4) . .
C6 C7 H7 119.9 . .
O3 C8 O4 124.0(5) . .
O3 C8 C6 121.5(5) . .
O4 C8 C6 114.4(4) . .
O5 C9 H9A 110.2 . .
O5 C9 H9B 110.2 . .
O5 C9 C10 107.5(5) . .
H9A C9 H9B 108.5 . .
C10 C9 H9A 110.2 . .
C10 C9 H9B 110.2 . .
C11 C10 C9 121.9(5) . .
C15 C10 C9 119.5(5) . .
C15 C10 C11 118.5(5) . .
C10 C11 H11 120.5 . .
C10 C11 C12 119.1(6) . .
C12 C11 H11 120.5 . .
C11 C12 H12 120.0 . .
C13 C12 C11 119.9(6) . .
C13 C12 H12 120.0 . .
C12 C13 C16 122.3(6) . .
C14 C13 C12 119.6(6) . .
C14 C13 C16 118.0(6) . .
C13 C14 H14 119.7 . .
C13 C14 C15 120.6(6) . .
C15 C14 H14 119.7 . .
C10 C15 H15 118.9 . .
C14 C15 C10 122.2(6) . .
C14 C15 H15 118.9 . .
O6 C16 C13 115.6(5) . .
O6 C16 H16A 108.4 . .
O6 C16 H16B 108.4 . .
C13 C16 H16A 108.4 . .
C13 C16 H16B 108.4 . .
H16A C16 H16B 107.5 . .
O6 C17 C18 113.2(5) . .
O6 C17 C22 127.1(5) . .
C22 C17 C18 119.6(5) . .
C17 C18 H18 119.9 . .
C19 C18 C17 120.2(5) . .
C19 C18 H18 119.9 . .
C18 C19 C20 120.1(5) . .
C18 C19 C24 120.6(5) . .
C20 C19 C24 119.3(5) . .
C19 C20 H20 120.1 . .
C21 C20 C19 119.8(5) . .
C21 C20 H20 120.1 . .
C20 C21 C22 120.1(5) . .
C20 C21 C23 120.0(5) . .
C22 C21 C23 119.9(5) . .
C17 C22 C21 120.2(5) . .
C17 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
O7 C23 O8 124.3(5) . .
O7 C23 C21 122.9(5) . .
O8 C23 C21 112.8(4) . .
O9 C24 C19 115.6(5) . .
O10 C24 O9 126.8(5) . .
O10 C24 C19 117.6(5) . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C26 C25 H25A 109.5 . .
C26 C25 H25B 109.5 . .
C26 C25 H25C 109.5 . .
N2 C26 C25 121.6(6) . .
N2 C26 C27 106.8(5) . .
C27 C26 C25 131.6(6) . .
C26 C27 C28 105.3(5) . .
C26 C27 C32 125.4(5) . .
C28 C27 C32 129.1(5) . .
N1 C28 C27 110.3(5) . .
N1 C28 C29 121.1(5) . .
C27 C28 C29 128.6(5) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C31 C30 H30A 109.5 . .
C31 C30 H30B 109.5 . .
C31 C30 H30C 109.5 . .
N3 C31 C30 121.2(5) . .
N3 C31 C32 110.7(5) . .
C32 C31 C30 128.1(5) . .
C31 C32 C27 130.5(6) . .
C33 C32 C27 124.2(5) . .
C33 C32 C31 105.2(5) . .
N4 C33 C32 106.7(5) . .
N4 C33 C34 121.6(6) . .
C32 C33 C34 131.6(6) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O2 2.375(4) .
Cd1 O3 2.453(3) 3_455
Cd1 O7 2.474(4) 1_656
Cd1 O10 2.249(4) 4_667
Cd1 N1 2.261(4) 1_455
Cd1 N3 2.281(4) .
O1 C1 1.244(6) .
O2 C1 1.264(6) .
O3 Cd1 2.453(3) 3_455
O3 C8 1.218(6) .
O4 H4 0.8206 .
O4 C8 1.293(6) .
O5 C4 1.359(6) .
O5 C9 1.427(6) .
O6 C16 1.400(7) .
O6 C17 1.367(6) .
O7 Cd1 2.475(4) 1_454
O7 C23 1.213(6) .
O8 H8 0.8199 .
O8 C23 1.314(6) .
O9 C24 1.263(6) .
O10 Cd1 2.249(3) 4_464
O10 C24 1.238(6) .
N1 Cd1 2.261(4) 1_655
N1 N2 1.349(7) .
N1 C28 1.333(7) .
N2 H2 0.8600 .
N2 C26 1.343(7) .
N3 N4 1.359(6) .
N3 C31 1.339(6) .
N4 H4A 0.8601 .
N4 C33 1.334(6) .
C1 C2 1.497(7) .
C2 C3 1.380(7) .
C2 C7 1.392(7) .
C3 H3 0.9300 .
C3 C4 1.388(7) .
C4 C5 1.400(7) .
C5 H5 0.9300 .
C5 C6 1.401(7) .
C6 C7 1.374(7) .
C6 C8 1.496(7) .
C7 H7 0.9300 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 C10 1.495(7) .
C10 C11 1.371(8) .
C10 C15 1.369(8) .
C11 H11 0.9300 .
C11 C12 1.409(8) .
C12 H12 0.9300 .
C12 C13 1.372(8) .
C13 C14 1.345(9) .
C13 C16 1.526(8) .
C14 H14 0.9300 .
C14 C15 1.346(8) .
C15 H15 0.9300 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.410(7) .
C17 C22 1.367(7) .
C18 H18 0.9300 .
C18 C19 1.374(7) .
C19 C20 1.395(7) .
C19 C24 1.508(7) .
C20 H20 0.9300 .
C20 C21 1.379(7) .
C21 C22 1.403(7) .
C21 C23 1.486(8) .
C22 H22 0.9300 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C25 C26 1.504(10) .
C26 C27 1.374(9) .
C27 C28 1.406(8) .
C27 C32 1.470(7) .
C28 C29 1.474(8) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C30 C31 1.486(8) .
C31 C32 1.398(7) .
C32 C33 1.386(8) .
C33 C34 1.480(8) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
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 O2 C1 O1 5.0(6) .
Cd1 O2 C1 C2 -175.6(4) .
Cd1 O3 C8 O4 -52.8(7) 3_455
Cd1 O3 C8 C6 124.1(4) 3_455
Cd1 O7 C23 O8 16.2(9) 1_454
Cd1 O7 C23 C21 -161.0(4) 1_454
Cd1 O10 C24 O9 20.3(10) 4_464
Cd1 O10 C24 C19 -159.0(4) 4_464
Cd1 N1 N2 C26 -168.1(5) 1_655
Cd1 N1 C28 C27 163.8(5) 1_655
Cd1 N1 C28 C29 -14.5(9) 1_655
Cd1 N3 N4 C33 -163.7(4) .
Cd1 N3 C31 C30 -25.0(8) .
Cd1 N3 C31 C32 156.8(4) .
O1 C1 C2 C3 167.5(5) .
O1 C1 C2 C7 -10.1(7) .
O2 C1 C2 C3 -12.0(8) .
O2 C1 C2 C7 170.4(5) .
O5 C4 C5 C6 176.9(5) .
O5 C9 C10 C11 131.6(6) .
O5 C9 C10 C15 -49.6(8) .
O6 C17 C18 C19 179.4(5) .
O6 C17 C22 C21 -178.8(5) .
N1 N2 C26 C25 178.7(9) .
N1 N2 C26 C27 1.6(9) .
N2 N1 C28 C27 0.2(7) .
N2 N1 C28 C29 -178.2(6) .
N2 C26 C27 C28 -1.4(9) .
N2 C26 C27 C32 174.8(6) .
N3 N4 C33 C32 0.4(7) .
N3 N4 C33 C34 -177.8(6) .
N3 C31 C32 C27 -178.5(5) .
N3 C31 C32 C33 0.4(6) .
N4 N3 C31 C30 178.0(5) .
N4 N3 C31 C32 -0.2(6) .
C1 C2 C3 C4 -175.9(5) .
C1 C2 C7 C6 174.2(4) .
C2 C3 C4 O5 -178.1(5) .
C2 C3 C4 C5 1.3(8) .
C3 C2 C7 C6 -3.5(7) .
C3 C4 C5 C6 -2.4(8) .
C4 O5 C9 C10 163.4(5) .
C4 C5 C6 C7 0.6(8) .
C4 C5 C6 C8 179.1(5) .
C5 C6 C7 C2 2.4(8) .
C5 C6 C8 O3 157.7(5) .
C5 C6 C8 O4 -25.1(7) .
C7 C2 C3 C4 1.7(8) .
C7 C6 C8 O3 -23.8(7) .
C7 C6 C8 O4 153.4(5) .
C8 C6 C7 C2 -176.2(4) .
C9 O5 C4 C3 -178.5(5) .
C9 O5 C4 C5 2.2(9) .
C9 C10 C11 C12 177.2(6) .
C9 C10 C15 C14 -178.6(6) .
C10 C11 C12 C13 2.0(9) .
C11 C10 C15 C14 0.3(10) .
C11 C12 C13 C14 -1.0(9) .
C11 C12 C13 C16 175.4(6) .
C12 C13 C14 C15 -0.3(10) .
C12 C13 C16 O6 16.5(9) .
C13 C14 C15 C10 0.7(11) .
C14 C13 C16 O6 -167.0(6) .
C15 C10 C11 C12 -1.6(9) .
C16 O6 C17 C18 177.5(5) .
C16 O6 C17 C22 -3.5(9) .
C16 C13 C14 C15 -176.8(6) .
C17 O6 C16 C13 83.2(7) .
C17 C18 C19 C20 -0.7(8) .
C17 C18 C19 C24 178.4(5) .
C18 C17 C22 C21 0.1(8) .
C18 C19 C20 C21 0.6(7) .
C18 C19 C24 O9 6.3(7) .
C18 C19 C24 O10 -174.3(5) .
C19 C20 C21 C22 -0.1(7) .
C19 C20 C21 C23 -177.5(5) .
C20 C19 C24 O9 -174.5(5) .
C20 C19 C24 O10 4.9(7) .
C20 C21 C22 C17 -0.3(8) .
C20 C21 C23 O7 176.3(5) .
C20 C21 C23 O8 -1.2(7) .
C22 C17 C18 C19 0.4(8) .
C22 C21 C23 O7 -1.1(8) .
C22 C21 C23 O8 -178.6(5) .
C23 C21 C22 C17 177.2(5) .
C24 C19 C20 C21 -178.6(4) .
C25 C26 C27 C28 -178.1(11) .
C25 C26 C27 C32 -2.0(16) .
C26 C27 C28 N1 0.8(8) .
C26 C27 C28 C29 179.0(7) .
C26 C27 C32 C31 115.2(9) .
C26 C27 C32 C33 -63.6(10) .
C27 C32 C33 N4 178.5(5) .
C27 C32 C33 C34 -3.5(11) .
C28 N1 N2 C26 -1.1(8) .
C28 C27 C32 C31 -69.7(10) .
C28 C27 C32 C33 111.6(8) .
C30 C31 C32 C27 3.5(10) .
C30 C31 C32 C33 -177.6(6) .
C31 N3 N4 C33 -0.2(6) .
C31 C32 C33 N4 -0.5(6) .
C31 C32 C33 C34 177.5(8) .
C32 C27 C28 N1 -175.2(6) .
C32 C27 C28 C29 3.0(12) .
