#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:14:09 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236807 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/70/7237075.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_7237075
loop_
_publ_author_name
'Yao, Shu-Li'
'Zheng, Teng-Fei'
'Tian, Xue-Mei'
'Liu, Sui-Jun'
'Cao, Chen'
'Zhu, Ze-Hao'
'Chen, Yong-Qiang'
'Chen, Jing-Lin'
'Wen, He-Rui'
_publ_section_title
;
 Dicarboxylate-induced structural diversity of luminescent ZnII/CdII
 coordination polymers derived from V-shaped bis-benzimidazole
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              5822
_journal_paper_doi               10.1039/C8CE01261J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C34 H22 Cd N4 O5, H2 O'
_chemical_formula_sum            'C34 H24 Cd N4 O6'
_chemical_formula_weight         696.98
_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
_audit_creation_date             2018-06-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-06-03 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                100.6360(10)
_cell_angle_beta                 106.3050(10)
_cell_angle_gamma                103.4970(10)
_cell_formula_units_Z            2
_cell_length_a                   10.4915(6)
_cell_length_b                   12.5940(6)
_cell_length_c                   13.9443(7)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.91
_cell_volume                     1656.63(15)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0280
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24125
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.007
_diffrn_reflns_theta_max         25.007
_diffrn_reflns_theta_min         2.909
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_T_max  0.8430
_exptl_absorpt_correction_T_min  0.7899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_platon_squeeze_details
;

;
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.687
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         5824
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      16.658
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0393P)²+2.0281P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0922
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5168
_reflns_number_total             5824
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce01261j2.cif
_cod_data_source_block           5
_cod_database_code               7237075
_shelx_shelxl_version_number     2017/1
_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   0.843
_shelx_estimated_absorpt_t_min   0.790
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Cd1-O4
 2.3 with sigma of 0.01
3.a Free rotating group:
 O1W(H1WA,H1WB)
3.b Aromatic/amide H refined with riding coordinates:
 C15(H), C7(HA), C28(HB), C17(HC), C3(HD), C23(HE), C33(HF), C20(HG), C12(HH),
 C10(HI), C4(HJ), C6(HK), C13(HL), C32(HM), C19(HN), C30(HO), C18(HP), C9(HQ),
 C31(HR), C26(HS), C27(HT), C25(HU)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
C24 C -0.2631(4) 0.3846(3) 0.5287(3) 0.0360(8) Uani 1 1 d .
Cd1 Cd 0.24229(2) 0.06442(2) 0.49949(2) 0.03072(10) Uani 1 1 d D
O1 O 0.4543(3) 0.0616(2) 0.6372(2) 0.0496(7) Uani 1 1 d .
C1 C 0.3775(4) -0.0279(3) 0.6420(3) 0.0342(8) Uani 1 1 d .
O2 O 0.2531(3) -0.0707(2) 0.58246(19) 0.0434(6) Uani 1 1 d .
O5 O 1.0365(3) 0.0422(2) 1.3752(2) 0.0547(7) Uani 1 1 d .
N2 N 0.0754(3) 0.3327(2) 0.6226(2) 0.0319(6) Uani 1 1 d .
C11 C 0.9175(4) -0.0948(3) 1.2145(3) 0.0352(8) Uani 1 1 d .
N4 N 0.3968(3) 0.1873(2) 0.4560(2) 0.0337(6) Uani 1 1 d .
O4 O 1.1333(3) -0.0874(3) 1.3356(2) 0.0567(8) Uani 1 1 d D
N1 N 0.1876(3) 0.2071(2) 0.5937(2) 0.0304(6) Uani 1 1 d .
N3 N 0.5938(3) 0.3211(2) 0.4823(2) 0.0362(7) Uani 1 1 d .
O3 O 0.5711(3) -0.2429(2) 0.9489(2) 0.0615(9) Uani 1 1 d .
C16 C 0.2697(3) 0.2900(3) 0.6859(3) 0.0310(7) Uani 1 1 d .
C15 C 0.0751(3) 0.2361(3) 0.5597(3) 0.0313(7) Uani 1 1 d .
H H 0.002135 0.194920 0.498687 0.038 Uiso 1 1 calc R
C14 C 1.0366(4) -0.0444(3) 1.3145(3) 0.0383(8) Uani 1 1 d .
C21 C 0.2012(3) 0.3688(3) 0.7055(3) 0.0318(7) Uani 1 1 d .
C22 C -0.0270(3) 0.3903(3) 0.6009(3) 0.0324(7) Uani 1 1 d .
C2 C 0.4326(4) -0.0849(3) 0.7227(2) 0.0332(8) Uani 1 1 d .
C7 C 0.5712(4) -0.0487(3) 0.7831(3) 0.0440(9) Uani 1 1 d .
HA H 0.632447 0.009853 0.771402 0.053 Uiso 1 1 calc R
C28 C 0.5290(4) 0.2310(3) 0.5094(3) 0.0361(8) Uani 1 1 d .
HB H 0.574934 0.202851 0.561561 0.043 Uiso 1 1 calc R
C17 C 0.4001(4) 0.2997(3) 0.7538(3) 0.0419(9) Uani 1 1 d .
HC H 0.447057 0.247448 0.740997 0.050 Uiso 1 1 calc R
C3 C 0.3442(4) -0.1733(3) 0.7389(3) 0.0416(9) Uani 1 1 d .
HD H 0.250940 -0.200136 0.697030 0.050 Uiso 1 1 calc R
C29 C 0.4911(4) 0.3366(3) 0.4014(3) 0.0375(8) Uani 1 1 d .
C23 C -0.1651(4) 0.3283(3) 0.5533(3) 0.0353(8) Uani 1 1 d .
HE H -0.192246 0.249552 0.537902 0.042 Uiso 1 1 calc R
C34 C 0.3690(4) 0.2525(3) 0.3866(3) 0.0349(8) Uani 1 1 d .
C33 C 0.2460(4) 0.2414(3) 0.3093(3) 0.0428(9) Uani 1 1 d .
HF H 0.164141 0.185413 0.298792 0.051 Uiso 1 1 calc R
C20 C 0.2569(4) 0.4585(3) 0.7944(3) 0.0420(9) Uani 1 1 d .
HG H 0.209005 0.509567 0.808723 0.050 Uiso 1 1 calc R
C12 C 0.9055(4) -0.1931(3) 1.1457(3) 0.0461(9) Uani 1 1 d .
HH H 0.974515 -0.228497 1.159939 0.055 Uiso 1 1 calc R
C5 C 0.5305(4) -0.1846(3) 0.8767(3) 0.0418(9) Uani 1 1 d .
C10 C 0.8135(4) -0.0436(3) 1.1926(3) 0.0442(9) Uani 1 1 d .
HI H 0.820305 0.022766 1.238761 0.053 Uiso 1 1 calc R
C4 C 0.3922(4) -0.2231(3) 0.8166(3) 0.0477(10) Uani 1 1 d .
HJ H 0.331198 -0.281996 0.828091 0.057 Uiso 1 1 calc R
C6 C 0.6212(4) -0.0979(3) 0.8607(3) 0.0477(10) Uani 1 1 d .
HK H 0.715013 -0.072496 0.901424 0.057 Uiso 1 1 calc R
C8 C 0.6900(4) -0.1875(3) 1.0360(3) 0.0444(10) Uani 1 1 d .
C13 C 0.7917(4) -0.2396(3) 1.0555(3) 0.0491(10) Uani 1 1 d .
HL H 0.784314 -0.305520 1.008619 0.059 Uiso 1 1 calc R
C32 C 0.2492(5) 0.3158(4) 0.2491(3) 0.0533(11) Uani 1 1 d .
HM H 0.168282 0.310264 0.196760 0.064 Uiso 1 1 calc R
C19 C 0.3863(4) 0.4680(3) 0.8602(3) 0.0498(10) Uani 1 1 d .
HN H 0.428282 0.528391 0.919581 0.060 Uiso 1 1 calc R
C30 C 0.4940(4) 0.4121(4) 0.3403(3) 0.0509(10) Uani 1 1 d .
HO H 0.575280 0.468339 0.350063 0.061 Uiso 1 1 calc R
C18 C 0.4563(4) 0.3902(3) 0.8406(3) 0.0500(10) Uani 1 1 d .
HP H 0.543572 0.399528 0.887527 0.060 Uiso 1 1 calc R
C9 C 0.6999(4) -0.0903(3) 1.1029(3) 0.0504(10) Uani 1 1 d .
HQ H 0.630338 -0.055486 1.088127 0.060 Uiso 1 1 calc R
C31 C 0.3716(5) 0.3993(4) 0.2652(4) 0.0607(12) Uani 1 1 d .
HR H 0.369977 0.448619 0.223056 0.073 Uiso 1 1 calc R
O1W O 0.2756(6) 0.7802(6) 0.2544(7) 0.177(3) Uani 1 1 d .
H1WA H 0.249528 0.712697 0.216348 0.265 Uiso 1 1 d G
H1WB H 0.219502 0.814976 0.229168 0.265 Uiso 1 1 d G
C26 C -0.0855(4) 0.5627(3) 0.5997(3) 0.0466(10) Uani 1 1 d .
HS H -0.058891 0.641377 0.615511 0.056 Uiso 1 1 calc R
C27 C 0.0143(4) 0.5082(3) 0.6240(3) 0.0402(9) Uani 1 1 d .
HT H 0.108003 0.549622 0.655456 0.048 Uiso 1 1 calc R
C25 C -0.2241(4) 0.5015(3) 0.5522(3) 0.0445(9) Uani 1 1 d .
HU H -0.290990 0.538642 0.536073 0.053 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 -0.8080 1.2020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
C23 C24 N3 119.2(3) . 1_455
C25 C24 N3 119.9(3) . 1_455
C25 C24 C23 120.9(3) . .
O1 Cd1 C14 147.81(11) . 1_454
O2 Cd1 O1 54.63(9) . .
O2 Cd1 O5 117.55(10) . 1_454
O2 Cd1 N4 135.05(10) . .
O2 Cd1 O4 87.82(9) . 1_454
O2 Cd1 N1 109.33(10) . .
O2 Cd1 C14 103.85(10) . 1_454
O5 Cd1 O1 172.09(10) 1_454 .
O5 Cd1 O4 54.54(9) 1_454 1_454
O5 Cd1 N1 84.70(10) 1_454 .
O5 Cd1 C14 27.22(11) 1_454 1_454
N4 Cd1 O1 84.46(9) . .
N4 Cd1 O5 102.46(11) . 1_454
N4 Cd1 O4 100.38(10) . 1_454
N4 Cd1 N1 93.16(10) . .
N4 Cd1 C14 102.86(10) . 1_454
O4 Cd1 O1 120.87(9) 1_454 .
O4 Cd1 C14 27.33(10) 1_454 1_454
N1 Cd1 O1 98.88(9) . .
N1 Cd1 O4 138.84(9) . 1_454
N1 Cd1 C14 111.76(11) . 1_454
C1 O1 Cd1 85.4(2) . .
O1 C1 O2 121.9(3) . .
O1 C1 C2 119.6(3) . .
O2 C1 C2 118.5(3) . .
C1 O2 Cd1 98.0(2) . .
C14 O5 Cd1 96.4(2) . 1_656
C15 N2 C21 106.4(3) . .
C15 N2 C22 125.8(3) . .
C21 N2 C22 127.5(3) . .
C12 C11 C14 121.9(3) . .
C12 C11 C10 119.1(3) . .
C10 C11 C14 119.0(3) . .
C28 N4 Cd1 124.9(2) . .
C28 N4 C34 105.3(3) . .
C34 N4 Cd1 127.9(2) . .
C14 O4 Cd1 87.5(2) . 1_656
C16 N1 Cd1 129.8(2) . .
C15 N1 Cd1 124.0(2) . .
C15 N1 C16 105.4(3) . .
C28 N3 C24 125.4(3) . 1_655
C28 N3 C29 105.9(3) . .
C29 N3 C24 128.6(3) . 1_655
C5 O3 C8 118.6(3) . .
C21 C16 N1 109.6(3) . .
C21 C16 C17 121.0(3) . .
C17 C16 N1 129.3(3) . .
N2 C15 H 123.4 . .
N1 C15 N2 113.2(3) . .
N1 C15 H 123.4 . .
O5 C14 Cd1 56.40(18) . 1_656
O5 C14 C11 118.0(3) . .
C11 C14 Cd1 174.4(3) . 1_656
O4 C14 Cd1 65.15(19) . 1_656
O4 C14 O5 121.5(3) . .
O4 C14 C11 120.5(3) . .
C16 C21 N2 105.4(3) . .
C16 C21 C20 121.9(3) . .
C20 C21 N2 132.7(3) . .
C23 C22 N2 119.4(3) . .
C23 C22 C27 120.8(3) . .
C27 C22 N2 119.8(3) . .
C7 C2 C1 121.1(3) . .
C3 C2 C1 120.1(3) . .
C3 C2 C7 118.8(3) . .
C2 C7 HA 119.4 . .
C2 C7 C6 121.2(4) . .
C6 C7 HA 119.4 . .
N4 C28 N3 114.0(3) . .
N4 C28 HB 123.0 . .
N3 C28 HB 123.0 . .
C16 C17 HC 121.6 . .
C18 C17 C16 116.9(4) . .
C18 C17 HC 121.6 . .
C2 C3 HD 119.6 . .
C2 C3 C4 120.8(3) . .
C4 C3 HD 119.6 . .
C34 C29 N3 105.3(3) . .
C30 C29 N3 133.1(4) . .
C30 C29 C34 121.5(3) . .
C24 C23 HE 120.5 . .
C22 C23 C24 119.0(3) . .
C22 C23 HE 120.5 . .
C29 C34 N4 109.4(3) . .
C33 C34 N4 130.0(3) . .
C33 C34 C29 120.6(3) . .
C34 C33 HF 121.1 . .
C32 C33 C34 117.7(4) . .
C32 C33 HF 121.1 . .
C21 C20 HG 121.8 . .
C19 C20 C21 116.5(4) . .
C19 C20 HG 121.8 . .
C11 C12 HH 119.8 . .
C11 C12 C13 120.4(4) . .
C13 C12 HH 119.8 . .
C4 C5 O3 115.6(3) . .
C6 C5 O3 123.4(3) . .
C6 C5 C4 120.9(3) . .
C11 C10 HI 119.8 . .
C9 C10 C11 120.4(4) . .
C9 C10 HI 119.8 . .
C3 C4 HJ 120.3 . .
C5 C4 C3 119.3(4) . .
C5 C4 HJ 120.3 . .
C7 C6 HK 120.5 . .
C5 C6 C7 118.9(3) . .
C5 C6 HK 120.5 . .
C13 C8 O3 117.2(3) . .
C9 C8 O3 121.4(4) . .
C9 C8 C13 121.2(3) . .
C12 C13 HL 120.4 . .
C8 C13 C12 119.3(4) . .
C8 C13 HL 120.4 . .
C33 C32 HM 119.5 . .
C33 C32 C31 120.9(4) . .
C31 C32 HM 119.5 . .
C20 C19 HN 119.0 . .
C20 C19 C18 121.9(4) . .
C18 C19 HN 119.0 . .
C29 C30 HO 121.7 . .
C31 C30 C29 116.6(4) . .
C31 C30 HO 121.7 . .
C17 C18 C19 121.7(4) . .
C17 C18 HP 119.1 . .
C19 C18 HP 119.1 . .
C10 C9 HQ 120.2 . .
C8 C9 C10 119.6(4) . .
C8 C9 HQ 120.2 . .
C32 C31 HR 118.7 . .
C30 C31 C32 122.6(4) . .
C30 C31 HR 118.7 . .
H1WA O1W H1WB 109.5 . .
C27 C26 HS 119.7 . .
C25 C26 HS 119.7 . .
C25 C26 C27 120.6(3) . .
C22 C27 HT 120.4 . .
C26 C27 C22 119.2(3) . .
C26 C27 HT 120.4 . .
C24 C25 HU 120.2 . .
C26 C25 C24 119.5(3) . .
C26 C25 HU 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C24 N3 1.420(4) 1_455
C24 C23 1.383(5) .
C24 C25 1.381(5) .
Cd1 O1 2.510(2) .
Cd1 O2 2.234(2) .
Cd1 O5 2.276(3) 1_454
Cd1 N4 2.263(3) .
Cd1 O4 2.467(3) 1_454
Cd1 N1 2.306(3) .
Cd1 C14 2.716(3) 1_454
O1 C1 1.249(4) .
C1 O2 1.257(4) .
C1 C2 1.497(5) .
O5 C14 1.250(5) .
N2 C15 1.361(4) .
N2 C21 1.398(4) .
N2 C22 1.425(4) .
C11 C14 1.494(5) .
C11 C12 1.375(5) .
C11 C10 1.383(5) .
N4 C28 1.301(4) .
N4 C34 1.394(4) .
O4 C14 1.248(4) .
N1 C16 1.395(4) .
N1 C15 1.305(4) .
N3 C28 1.354(4) .
N3 C29 1.403(4) .
O3 C5 1.382(4) .
O3 C8 1.396(4) .
C16 C21 1.385(5) .
C16 C17 1.391(5) .
C15 H 0.9300 .
C21 C20 1.387(5) .
C22 C23 1.375(5) .
C22 C27 1.393(5) .
C2 C7 1.376(5) .
C2 C3 1.370(5) .
C7 HA 0.9300 .
C7 C6 1.383(5) .
C28 HB 0.9300 .
C17 HC 0.9300 .
C17 C18 1.375(5) .
C3 HD 0.9300 .
C3 C4 1.384(5) .
C29 C34 1.394(5) .
C29 C30 1.389(5) .
C23 HE 0.9300 .
C34 C33 1.387(5) .
C33 HF 0.9300 .
C33 C32 1.369(6) .
C20 HG 0.9300 .
C20 C19 1.372(6) .
C12 HH 0.9300 .
C12 C13 1.381(5) .
C5 C4 1.372(5) .
C5 C6 1.368(6) .
C10 HI 0.9300 .
C10 C9 1.377(5) .
C4 HJ 0.9300 .
C6 HK 0.9300 .
C8 C13 1.369(6) .
C8 C9 1.357(6) .
C13 HL 0.9300 .
C32 HM 0.9300 .
C32 C31 1.388(6) .
C19 HN 0.9300 .
C19 C18 1.387(6) .
C30 HO 0.9300 .
C30 C31 1.363(6) .
C18 HP 0.9300 .
C9 HQ 0.9300 .
C31 HR 0.9300 .
O1W H1WA 0.8500 .
O1W H1WB 0.8499 .
C26 HS 0.9300 .
C26 C27 1.380(5) .
C26 C25 1.376(5) .
C27 HT 0.9300 .
C25 HU 0.9300 .
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
C24 N3 C28 N4 179.4(3) 1_655
C24 N3 C29 C34 -179.3(3) 1_655
C24 N3 C29 C30 2.3(6) 1_655
Cd1 O1 C1 O2 3.1(3) .
Cd1 O1 C1 C2 -175.1(3) .
Cd1 O5 C14 C11 -179.2(3) 1_656
Cd1 O5 C14 O4 0.0(4) 1_656
Cd1 N4 C28 N3 -165.4(2) .
Cd1 N4 C34 C29 165.1(2) .
Cd1 N4 C34 C33 -17.3(5) .
Cd1 O4 C14 O5 0.0(4) 1_656
Cd1 O4 C14 C11 179.2(3) 1_656
Cd1 N1 C16 C21 170.5(2) .
Cd1 N1 C16 C17 -10.1(5) .
Cd1 N1 C15 N2 -171.0(2) .
O1 C1 O2 Cd1 -3.5(4) .
O1 C1 C2 C7 -8.4(5) .
O1 C1 C2 C3 170.4(3) .
C1 C2 C7 C6 177.1(3) .
C1 C2 C3 C4 -176.7(3) .
O2 C1 C2 C7 173.4(3) .
O2 C1 C2 C3 -7.8(5) .
N2 C21 C20 C19 179.9(4) .
N2 C22 C23 C24 -177.3(3) .
N2 C22 C27 C26 178.0(3) .
C11 C12 C13 C8 -0.8(6) .
C11 C10 C9 C8 0.3(6) .
N4 C34 C33 C32 -177.6(4) .
N1 C16 C21 N2 -0.4(4) .
N1 C16 C21 C20 177.5(3) .
N1 C16 C17 C18 -178.9(3) .
N3 C24 C23 C22 -178.2(3) 1_455
N3 C24 C25 C26 178.3(4) 1_455
N3 C29 C34 N4 -0.4(4) .
N3 C29 C34 C33 -178.3(3) .
N3 C29 C30 C31 178.0(4) .
O3 C5 C4 C3 -176.7(4) .
O3 C5 C6 C7 176.8(4) .
O3 C8 C13 C12 -174.3(4) .
O3 C8 C9 C10 174.3(4) .
C16 N1 C15 N2 -0.1(4) .
C16 C21 C20 C19 2.6(5) .
C16 C17 C18 C19 0.3(6) .
C15 N2 C21 C16 0.3(4) .
C15 N2 C21 C20 -177.3(4) .
C15 N2 C22 C23 39.0(5) .
C15 N2 C22 C27 -138.2(4) .
C15 N1 C16 C21 0.3(4) .
C15 N1 C16 C17 179.7(4) .
C14 C11 C12 C13 177.8(4) .
C14 C11 C10 C9 -177.7(4) .
C21 N2 C15 N1 -0.2(4) .
C21 N2 C22 C23 -148.1(3) .
C21 N2 C22 C27 34.7(5) .
C21 C16 C17 C18 0.4(5) .
C21 C20 C19 C18 -1.9(6) .
C22 N2 C15 N1 174.0(3) .
C22 N2 C21 C16 -173.7(3) .
C22 N2 C21 C20 8.7(6) .
C2 C1 O2 Cd1 174.7(3) .
C2 C7 C6 C5 0.5(6) .
C2 C3 C4 C5 -1.3(6) .
C7 C2 C3 C4 2.1(6) .
C28 N4 C34 C29 0.2(4) .
C28 N4 C34 C33 177.8(4) .
C28 N3 C29 C34 0.5(4) .
C28 N3 C29 C30 -177.9(4) .
C17 C16 C21 N2 -179.9(3) .
C17 C16 C21 C20 -1.9(5) .
C3 C2 C7 C6 -1.7(6) .
C29 N3 C28 N4 -0.4(4) .
C29 C34 C33 C32 -0.2(5) .
C29 C30 C31 C32 -0.1(7) .
C23 C24 C25 C26 0.8(6) .
C23 C22 C27 C26 0.8(6) .
C34 N4 C28 N3 0.2(4) .
C34 C29 C30 C31 -0.1(6) .
C34 C33 C32 C31 -0.1(6) .
C33 C32 C31 C30 0.2(7) .
C20 C19 C18 C17 0.5(7) .
C12 C11 C14 O5 -176.7(4) .
C12 C11 C14 O4 4.1(6) .
C12 C11 C10 C9 -0.2(6) .
C5 O3 C8 C13 -126.0(4) .
C5 O3 C8 C9 58.8(6) .
C10 C11 C14 O5 0.7(5) .
C10 C11 C14 O4 -178.6(4) .
C10 C11 C12 C13 0.5(6) .
C4 C5 C6 C7 0.4(6) .
C6 C5 C4 C3 0.0(6) .
C8 O3 C5 C4 -156.2(4) .
C8 O3 C5 C6 27.2(6) .
C13 C8 C9 C10 -0.7(7) .
C30 C29 C34 N4 178.2(3) .
C30 C29 C34 C33 0.3(6) .
C9 C8 C13 C12 0.9(6) .
C27 C22 C23 C24 -0.2(5) .
C27 C26 C25 C24 -0.1(6) .
C25 C24 C23 C22 -0.6(5) .
C25 C26 C27 C22 -0.7(6) .
