#------------------------------------------------------------------------------
#$Date: 2021-02-16 11:56:08 +0200 (Tue, 16 Feb 2021) $
#$Revision: 262004 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/04/1560427.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_1560427
loop_
_publ_author_name
'Wang, Xin-Fang'
'Zhou, Sheng-Bin'
'Du, Ceng-Ceng'
'Wang, Duo-Zhi'
'Jia, Dianzeng'
_publ_section_title
;
 Seven new Zn(II)/Cd(II) coordination polymers with 2-(hydroxymethyl)-1 H
 -benzo[ d ]imidazole-5-carboxylic acid: Synthesis, structures and
 properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              72
_journal_page_last               85
_journal_paper_doi               10.1016/j.jssc.2017.04.039
_journal_volume                  252
_journal_year                    2017
_chemical_formula_sum            'C18 H18 Cd N4 O8'
_chemical_formula_weight         530.76
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                91.409(2)
_cell_angle_beta                 92.125(3)
_cell_angle_gamma                96.403(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2591(14)
_cell_length_b                   8.6105(14)
_cell_length_c                   13.502(2)
_cell_measurement_reflns_used    4197
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.17
_cell_measurement_theta_min      2.38
_cell_volume                     953.1(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0140
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5123
_diffrn_reflns_theta_full        25.17
_diffrn_reflns_theta_max         25.17
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    1.204
_exptl_absorpt_correction_T_max  0.8125
_exptl_absorpt_correction_T_min  0.7776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.793
_refine_diff_density_min         -0.530
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3388
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0295P)²+0.9043P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0621
_reflns_number_gt                3185
_reflns_number_total             3388
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2017-252-72.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1560427
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4631(4) 0.2655(4) 0.2336(2) 0.0316(6) Uani 1 1 d . . .
H1A H 0.3522 0.2159 0.2232 0.038 Uiso 1 1 calc R . .
H1B H 0.4621 0.3771 0.2260 0.038 Uiso 1 1 calc R . .
C2 C 0.5247(3) 0.2347(3) 0.33634(19) 0.0215(5) Uani 1 1 d . . .
C3 C 0.5386(3) 0.2299(3) 0.4995(2) 0.0230(5) Uani 1 1 d . . .
C4 C 0.6674(3) 0.1587(3) 0.46011(19) 0.0208(5) Uani 1 1 d . . .
C5 C 0.7785(3) 0.0939(3) 0.52201(19) 0.0207(5) Uani 1 1 d . . .
H5 H 0.8631 0.0447 0.4963 0.025 Uiso 1 1 calc R . .
C6 C 0.7589(3) 0.1050(3) 0.62355(19) 0.0206(5) Uani 1 1 d . . .
C7 C 0.6280(3) 0.1768(3) 0.6619(2) 0.0271(6) Uani 1 1 d . . .
H7 H 0.6169 0.1820 0.7302 0.033 Uiso 1 1 calc R . .
C8 C 0.5155(3) 0.2396(4) 0.6004(2) 0.0306(6) Uani 1 1 d . . .
H8 H 0.4288 0.2861 0.6257 0.037 Uiso 1 1 calc R . .
C9 C 1.1180(3) -0.0455(3) 0.30589(19) 0.0199(5) Uani 1 1 d . . .
C10 C 0.8820(4) 0.5154(3) 0.3182(2) 0.0335(7) Uani 1 1 d . . .
H10A H 0.7677 0.4802 0.3036 0.040 Uiso 1 1 calc R . .
H10B H 0.9168 0.4598 0.3754 0.040 Uiso 1 1 calc R . .
C11 C 0.9786(3) 0.4737(3) 0.23103(19) 0.0226(5) Uani 1 1 d . . .
C12 C 1.1438(3) 0.5001(3) 0.1061(2) 0.0229(5) Uani 1 1 d . . .
C13 C 1.0742(3) 0.3449(3) 0.11116(18) 0.0196(5) Uani 1 1 d . . .
C14 C 1.1080(3) 0.2324(3) 0.04203(19) 0.0210(5) Uani 1 1 d . . .
H14 H 1.0638 0.1286 0.0460 0.025 Uiso 1 1 calc R . .
C15 C 1.2107(3) 0.2806(3) -0.03373(19) 0.0226(5) Uani 1 1 d . . .
C16 C 1.2799(3) 0.4371(3) -0.0376(2) 0.0274(6) Uani 1 1 d . . .
H16 H 1.3483 0.4660 -0.0888 0.033 Uiso 1 1 calc R . .
C17 C 1.2497(3) 0.5489(3) 0.0319(2) 0.0280(6) Uani 1 1 d . . .
H17 H 1.2975 0.6517 0.0296 0.034 Uiso 1 1 calc R . .
C18 C 1.2362(3) 0.1632(3) -0.1132(2) 0.0237(6) Uani 1 1 d . . .
Cd1 Cd 0.82006(2) 0.10774(2) 0.235058(13) 0.02049(8) Uani 1 1 d . . .
N1 N 0.4519(3) 0.2783(3) 0.41866(17) 0.0262(5) Uani 1 1 d . . .
H1 H 0.3668 0.3274 0.4205 0.031 Uiso 1 1 calc R . .
N2 N 0.6559(3) 0.1647(2) 0.35647(16) 0.0209(5) Uani 1 1 d . . .
N3 N 0.9714(3) 0.3315(2) 0.19121(16) 0.0216(5) Uani 1 1 d . . .
N4 N 1.0799(3) 0.5792(3) 0.18381(17) 0.0248(5) Uani 1 1 d . . .
H4 H 1.1008 0.6771 0.1991 0.030 Uiso 1 1 calc R . .
O1 O 0.5627(2) 0.2071(3) 0.16248(15) 0.0319(5) Uani 1 1 d D . .
H1O H 0.507(4) 0.127(3) 0.139(3) 0.038 Uiso 1 1 d D . .
O2 O 1.0173(2) 0.0393(2) 0.34232(14) 0.0269(4) Uani 1 1 d . . .
O3 O 1.1168(2) -0.0833(2) 0.21590(14) 0.0276(4) Uani 1 1 d . . .
O4 O 0.8979(3) 0.6742(2) 0.34224(16) 0.0347(5) Uani 1 1 d D . .
H2O H 0.844(4) 0.717(4) 0.297(2) 0.042 Uiso 1 1 d D . .
O5 O 1.2108(2) 0.0196(2) -0.09149(14) 0.0266(4) Uani 1 1 d . . .
O6 O 1.2751(3) 0.2036(3) -0.19794(14) 0.0345(5) Uani 1 1 d . . .
O7 O 0.1301(3) 0.3137(3) 0.45095(17) 0.0370(5) Uani 1 1 d D . .
H1W H 0.089(5) 0.227(3) 0.424(3) 0.056 Uiso 1 1 d D . .
H2W H 0.113(5) 0.305(5) 0.5108(16) 0.056 Uiso 1 1 d D . .
O8 O 0.3723(3) 0.9581(3) 0.08610(16) 0.0355(5) Uani 1 1 d D . .
H4W H 0.329(5) 0.974(5) 0.0316(19) 0.053 Uiso 1 1 d D . .
H3W H 0.295(4) 0.950(5) 0.125(2) 0.053 Uiso 1 1 d D . .
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 C1 C2 110.5(2) . .
O1 C1 H1A 109.5 . .
C2 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 108.1 . .
N2 C2 N1 112.7(2) . .
N2 C2 C1 124.3(2) . .
N1 C2 C1 123.0(2) . .
N1 C3 C8 132.1(2) . .
N1 C3 C4 105.5(2) . .
C8 C3 C4 122.3(2) . .
C5 C4 C3 120.7(2) . .
C5 C4 N2 130.5(2) . .
C3 C4 N2 108.7(2) . .
C6 C5 C4 117.8(2) . .
C6 C5 H5 121.1 . .
C4 C5 H5 121.1 . .
C5 C6 C7 120.8(2) . .
C5 C6 C9 119.9(2) . 2_756
C7 C6 C9 119.3(2) . 2_756
C8 C7 C6 121.7(3) . .
C8 C7 H7 119.2 . .
C6 C7 H7 119.2 . .
C3 C8 C7 116.8(3) . .
C3 C8 H8 121.6 . .
C7 C8 H8 121.6 . .
O3 C9 O2 123.1(2) . .
O3 C9 C6 119.5(2) . 2_756
O2 C9 C6 117.4(2) . 2_756
O4 C10 C11 113.9(2) . .
O4 C10 H10A 108.8 . .
C11 C10 H10A 108.8 . .
O4 C10 H10B 108.8 . .
C11 C10 H10B 108.8 . .
H10A C10 H10B 107.7 . .
N3 C11 N4 112.8(2) . .
N3 C11 C10 123.8(2) . .
N4 C11 C10 123.4(2) . .
N4 C12 C17 132.7(2) . .
N4 C12 C13 105.3(2) . .
C17 C12 C13 122.0(3) . .
C14 C13 N3 129.8(2) . .
C14 C13 C12 121.0(2) . .
N3 C13 C12 109.2(2) . .
C13 C14 C15 117.5(2) . .
C13 C14 H14 121.2 . .
C15 C14 H14 121.2 . .
C14 C15 C16 120.7(3) . .
C14 C15 C18 117.8(2) . .
C16 C15 C18 121.4(2) . .
C17 C16 C15 122.2(3) . .
C17 C16 H16 118.9 . .
C15 C16 H16 118.9 . .
C16 C17 C12 116.6(2) . .
C16 C17 H17 121.7 . .
C12 C17 H17 121.7 . .
O6 C18 O5 121.5(3) . .
O6 C18 C15 121.6(3) . .
O5 C18 C15 116.9(2) . .
O5 Cd1 N2 135.83(7) 2_755 .
O5 Cd1 O2 116.80(7) 2_755 .
N2 Cd1 O2 93.61(7) . .
O5 Cd1 N3 100.54(7) 2_755 .
N2 Cd1 N3 109.08(8) . .
O2 Cd1 N3 93.68(7) . .
O5 Cd1 O1 78.45(7) 2_755 .
N2 Cd1 O1 69.57(7) . .
O2 Cd1 O1 163.08(7) . .
N3 Cd1 O1 90.32(7) . .
C2 N1 C3 107.6(2) . .
C2 N1 H1 126.2 . .
C3 N1 H1 126.2 . .
C2 N2 C4 105.4(2) . .
C2 N2 Cd1 120.41(17) . .
C4 N2 Cd1 133.76(17) . .
C11 N3 C13 105.4(2) . .
C11 N3 Cd1 129.20(18) . .
C13 N3 Cd1 125.37(17) . .
C11 N4 C12 107.3(2) . .
C11 N4 H4 126.3 . .
C12 N4 H4 126.3 . .
C1 O1 Cd1 114.27(15) . .
C1 O1 H1O 104(3) . .
Cd1 O1 H1O 104(2) . .
C9 O2 Cd1 115.91(16) . .
C10 O4 H2O 106(2) . .
C18 O5 Cd1 104.83(16) . 2_755
H1W O7 H2W 105(4) . .
H4W O8 H3W 104(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.407(4) .
C1 C2 1.500(4) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 N2 1.320(3) .
C2 N1 1.348(4) .
C3 N1 1.381(3) .
C3 C8 1.385(4) .
C3 C4 1.401(4) .
C4 C5 1.390(4) .
C4 N2 1.402(3) .
C5 C6 1.389(4) .
C5 H5 0.9300 .
C6 C7 1.412(4) .
C6 C9 1.507(3) 2_756
C7 C8 1.387(4) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 O3 1.249(3) .
C9 O2 1.271(3) .
C9 C6 1.507(3) 2_756
C10 O4 1.388(3) .
C10 C11 1.505(4) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N3 1.320(3) .
C11 N4 1.352(3) .
C12 N4 1.390(4) .
C12 C17 1.396(4) .
C12 C13 1.399(4) .
C13 C14 1.387(4) .
C13 N3 1.398(3) .
C14 C15 1.395(4) .
C14 H14 0.9300 .
C15 C16 1.407(4) .
C15 C18 1.493(4) .
C16 C17 1.377(4) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 O6 1.247(3) .
C18 O5 1.274(3) .
Cd1 O5 2.1957(19) 2_755
Cd1 N2 2.245(2) .
Cd1 O2 2.2757(18) .
Cd1 N3 2.280(2) .
Cd1 O1 2.550(2) .
N1 H1 0.8600 .
N4 H4 0.8600 .
O1 H1O 0.833(18) .
O4 H2O 0.860(18) .
O5 Cd1 2.1957(19) 2_755
O7 H1W 0.849(19) .
O7 H2W 0.829(19) .
O8 H4W 0.829(19) .
O8 H3W 0.841(19) .
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
N1 H1 O7 0.86 2.00 2.758(3) 145.8 .
N4 H4 O3 0.86 2.06 2.908(3) 169.2 1_565
O1 H1O O8 0.833(18) 1.843(19) 2.674(3) 176(4) 1_545
O4 H2O O6 0.860(18) 1.819(19) 2.678(3) 177(4) 2_765
O7 H1W O2 0.849(19) 1.96(2) 2.800(3) 170(4) 1_455
O7 H2W O4 0.829(19) 1.99(2) 2.811(3) 168(4) 2_666
O8 H4W O5 0.829(19) 1.964(19) 2.791(3) 175(4) 1_465
O8 H3W O3 0.841(19) 1.952(19) 2.791(3) 176(4) 1_465
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
O1 C1 C2 N2 1.0(4) . . . .
O1 C1 C2 N1 -179.9(2) . . . .
N1 C3 C4 C5 -179.0(2) . . . .
C8 C3 C4 C5 0.1(4) . . . .
N1 C3 C4 N2 -0.3(3) . . . .
C8 C3 C4 N2 178.8(3) . . . .
C3 C4 C5 C6 -1.2(4) . . . .
N2 C4 C5 C6 -179.6(2) . . . .
C4 C5 C6 C7 1.4(4) . . . .
C4 C5 C6 C9 -176.2(2) . . . 2_756
C5 C6 C7 C8 -0.5(4) . . . .
C9 C6 C7 C8 177.1(3) 2_756 . . .
N1 C3 C8 C7 179.6(3) . . . .
C4 C3 C8 C7 0.8(4) . . . .
C6 C7 C8 C3 -0.6(4) . . . .
O4 C10 C11 N3 -174.7(3) . . . .
O4 C10 C11 N4 3.9(4) . . . .
N4 C12 C13 C14 178.2(2) . . . .
C17 C12 C13 C14 0.0(4) . . . .
N4 C12 C13 N3 -0.5(3) . . . .
C17 C12 C13 N3 -178.7(2) . . . .
N3 C13 C14 C15 176.9(2) . . . .
C12 C13 C14 C15 -1.4(4) . . . .
C13 C14 C15 C16 1.6(4) . . . .
C13 C14 C15 C18 -174.9(2) . . . .
C14 C15 C16 C17 -0.3(4) . . . .
C18 C15 C16 C17 176.1(3) . . . .
C15 C16 C17 C12 -1.2(4) . . . .
N4 C12 C17 C16 -176.3(3) . . . .
C13 C12 C17 C16 1.3(4) . . . .
C14 C15 C18 O6 154.6(2) . . . .
C16 C15 C18 O6 -21.9(4) . . . .
C14 C15 C18 O5 -23.1(3) . . . .
C16 C15 C18 O5 160.5(2) . . . .
N2 C2 N1 C3 -1.7(3) . . . .
C1 C2 N1 C3 179.1(3) . . . .
C8 C3 N1 C2 -177.8(3) . . . .
C4 C3 N1 C2 1.1(3) . . . .
N1 C2 N2 C4 1.5(3) . . . .
C1 C2 N2 C4 -179.4(3) . . . .
N1 C2 N2 Cd1 -171.94(17) . . . .
C1 C2 N2 Cd1 7.2(3) . . . .
C5 C4 N2 C2 177.8(3) . . . .
C3 C4 N2 C2 -0.7(3) . . . .
C5 C4 N2 Cd1 -10.0(4) . . . .
C3 C4 N2 Cd1 171.44(18) . . . .
O5 Cd1 N2 C2 -54.1(2) 2_755 . . .
O2 Cd1 N2 C2 170.35(19) . . . .
N3 Cd1 N2 C2 75.2(2) . . . .
O1 Cd1 N2 C2 -7.77(18) . . . .
O5 Cd1 N2 C4 134.7(2) 2_755 . . .
O2 Cd1 N2 C4 -0.9(2) . . . .
N3 Cd1 N2 C4 -96.0(2) . . . .
O1 Cd1 N2 C4 -179.0(2) . . . .
N4 C11 N3 C13 -0.7(3) . . . .
C10 C11 N3 C13 178.0(3) . . . .
N4 C11 N3 Cd1 -178.59(17) . . . .
C10 C11 N3 Cd1 0.1(4) . . . .
C14 C13 N3 C11 -177.8(3) . . . .
C12 C13 N3 C11 0.7(3) . . . .
C14 C13 N3 Cd1 0.2(4) . . . .
C12 C13 N3 Cd1 178.72(16) . . . .
O5 Cd1 N3 C11 151.5(2) 2_755 . . .
N2 Cd1 N3 C11 4.8(2) . . . .
O2 Cd1 N3 C11 -90.3(2) . . . .
O1 Cd1 N3 C11 73.2(2) . . . .
O5 Cd1 N3 C13 -26.0(2) 2_755 . . .
N2 Cd1 N3 C13 -172.77(19) . . . .
O2 Cd1 N3 C13 92.1(2) . . . .
O1 Cd1 N3 C13 -104.3(2) . . . .
N3 C11 N4 C12 0.4(3) . . . .
C10 C11 N4 C12 -178.3(3) . . . .
C17 C12 N4 C11 178.0(3) . . . .
C13 C12 N4 C11 0.1(3) . . . .
C2 C1 O1 Cd1 -7.4(3) . . . .
O5 Cd1 O1 C1 157.2(2) 2_755 . . .
N2 Cd1 O1 C1 8.17(19) . . . .
O2 Cd1 O1 C1 1.7(4) . . . .
N3 Cd1 O1 C1 -102.1(2) . . . .
O3 C9 O2 Cd1 3.8(3) . . . .
C6 C9 O2 Cd1 -174.70(16) 2_756 . . .
O5 Cd1 O2 C9 13.3(2) 2_755 . . .
N2 Cd1 O2 C9 160.17(18) . . . .
N3 Cd1 O2 C9 -90.42(18) . . . .
O1 Cd1 O2 C9 166.2(2) . . . .
O6 C18 O5 Cd1 -16.1(3) . . . 2_755
C15 C18 O5 Cd1 161.49(18) . . . 2_755
