#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/68/2216897.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2216897
loop_
_publ_author_name
'Wang, Huan-Yu'
'Gao, Shan'
'Huo, Li-Hua'
'Zhao, Jing-Gui'
_publ_section_title
;The one-dimensional polymer
 poly[[aqua(2,2'-bipyridine)cadmium(II)]-μ-trans-stilbene-4,4'-dicarboxylato]
;
_journal_coeditor_code           BH2152
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m162
_journal_page_last               m163
_journal_paper_doi               10.1107/S1600536807065294
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cd (C16 H10 O4) (C10 H8 N2) (H2 O)]'
_chemical_formula_moiety         'C26 H20 Cd N2 O5'
_chemical_formula_sum            'C26 H20 Cd N2 O5'
_chemical_formula_weight         552.84
_chemical_name_systematic
;
Poly[[aqua(2,2'-bipyridine)cadmium(II)]-
μ-trans-stilbene-4,4'-dicarboxylato]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                98.90(3)
_cell_angle_beta                 115.07(3)
_cell_angle_gamma                102.95(3)
_cell_formula_units_Z            2
_cell_length_a                   10.543(2)
_cell_length_b                   10.838(2)
_cell_length_c                   11.442(2)
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.11
_cell_volume                     1107.0(6)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'RAPID-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1998)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_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  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            10929
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.029
_exptl_absorpt_correction_T_max  0.8610
_exptl_absorpt_correction_T_min  0.7147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.560
_refine_diff_density_min         -0.343
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         5024
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0341P)²+0.8869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0730
_reflns_number_gt                4482
_reflns_number_total             5024
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bh2152.cif
_cod_data_source_block           I
_cod_database_code               2216897
_cod_database_fobs_code          2216897
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Cd Cd1 0.250536(19) 0.691211(19) 0.648737(17) 0.02976(7) Uani d . 1
O O1 0.1953(2) 0.9264(2) 0.6820(2) 0.0420(5) Uani d . 1
O O1W 0.1557(2) 0.4774(2) 0.6441(2) 0.0375(4) Uani d D 1
H H1W2 0.088(3) 0.475(3) 0.666(3) 0.056 Uiso d D 1
H H1W1 0.121(3) 0.419(3) 0.570(2) 0.056 Uiso d D 1
O O2 0.0352(2) 0.7264(2) 0.5764(2) 0.0448(5) Uani d . 1
O O3 0.3107(2) 0.6262(2) 0.49176(19) 0.0474(5) Uani d . 1
O O4 0.0819(3) 0.5544(3) 0.3238(2) 0.0666(7) Uani d . 1
N N1 0.5016(2) 0.7824(2) 0.7968(2) 0.0334(5) Uani d . 1
N N2 0.2902(2) 0.7500(2) 0.8731(2) 0.0339(5) Uani d . 1
C C1 0.6036(3) 0.7890(3) 0.7554(3) 0.0420(6) Uani d . 1
H H1 0.5719 0.7596 0.6637 0.050 Uiso calc R 1
C C2 0.7535(3) 0.8376(3) 0.8427(3) 0.0502(8) Uani d . 1
H H2 0.8218 0.8411 0.8110 0.060 Uiso calc R 1
C C3 0.7991(3) 0.8808(4) 0.9778(3) 0.0539(8) Uani d . 1
H H3 0.8995 0.9138 1.0393 0.065 Uiso calc R 1
C C4 0.6959(3) 0.8750(3) 1.0219(3) 0.0455(7) Uani d . 1
H H4 0.7261 0.9051 1.1132 0.055 Uiso calc R 1
C C5 0.5465(3) 0.8241(2) 0.9295(2) 0.0315(5) Uani d . 1
C C6 0.4290(3) 0.8130(2) 0.9701(2) 0.0307(5) Uani d . 1
C C7 0.4608(4) 0.8664(3) 1.1016(3) 0.0436(7) Uani d . 1
H H7 0.5579 0.9100 1.1685 0.052 Uiso calc R 1
C C8 0.3456(4) 0.8533(3) 1.1311(3) 0.0510(8) Uani d . 1
H H8 0.3646 0.8883 1.2186 0.061 Uiso calc R 1
C C9 0.2027(4) 0.7887(3) 1.0315(3) 0.0483(7) Uani d . 1
H H9 0.1238 0.7791 1.0498 0.058 Uiso calc R 1
C C10 0.1799(3) 0.7382(3) 0.9030(3) 0.0413(6) Uani d . 1
H H10 0.0835 0.6942 0.8347 0.050 Uiso calc R 1
C C11 0.0672(3) 0.8507(3) 0.6204(2) 0.0333(5) Uani d . 1
C C12 -0.0621(3) 0.8999(3) 0.5960(2) 0.0313(5) Uani d . 1
C C13 -0.2056(3) 0.8142(3) 0.5195(3) 0.0434(7) Uani d . 1
H H13 -0.2220 0.7254 0.4846 0.052 Uiso calc R 1
C C14 -0.3248(3) 0.8590(3) 0.4943(3) 0.0426(7) Uani d . 1
H H15 -0.4204 0.8000 0.4418 0.051 Uiso calc R 1
C C15 -0.3044(3) 0.9907(3) 0.5460(3) 0.0307(5) Uani d . 1
C C16 -0.1598(3) 1.0773(3) 0.6219(3) 0.0350(6) Uani d . 1
H H16 -0.1433 1.1661 0.6574 0.042 Uiso calc R 1
C C17 -0.0405(3) 1.0325(3) 0.6451(3) 0.0340(5) Uani d . 1
H H12 0.0552 1.0919 0.6941 0.041 Uiso calc R 1
C C18 -0.4307(3) 1.0377(3) 0.5217(3) 0.0327(5) Uani d . 1
H H18 -0.4126 1.1284 0.5380 0.039 Uiso calc R 1
C C19 0.2159(3) 0.5721(3) 0.3699(3) 0.0340(6) Uani d . 1
C C20 0.2723(3) 0.5366(2) 0.2737(2) 0.0275(5) Uani d . 1
C C21 0.4203(3) 0.5479(3) 0.3167(2) 0.0307(5) Uani d . 1
H H21 0.4849 0.5687 0.4082 0.037 Uiso calc R 1
C C22 0.4726(3) 0.5286(3) 0.2259(3) 0.0320(5) Uani d . 1
H H22 0.5722 0.5378 0.2571 0.038 Uiso calc R 1
C C23 0.3784(3) 0.4955(2) 0.0874(2) 0.0293(5) Uani d . 1
C C24 0.2285(3) 0.4760(3) 0.0450(3) 0.0362(6) Uani d . 1
H H24 0.1622 0.4486 -0.0466 0.043 Uiso calc R 1
C C25 0.1767(3) 0.4965(3) 0.1363(3) 0.0346(6) Uani d . 1
H H25 0.0763 0.4833 0.1053 0.041 Uiso calc R 1
C C26 0.4304(3) 0.4834(3) -0.0125(3) 0.0336(5) Uani d . 1
H H26 0.3584 0.4489 -0.1023 0.040 Uiso calc R 1
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'
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'
Cd Cd -0.8075 1.2024 '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_site_symmetry_1
_geom_angle
_geom_angle_publ_flag
O1 Cd1 O1W . 139.33(8) yes
O1 Cd1 O2 . 51.29(8) yes
O1 Cd1 O3 . 120.67(8) yes
O1 Cd1 N1 . 94.47(8) yes
O1 Cd1 N2 . 74.71(8) yes
O2 Cd1 O3 . 115.76(8) yes
O2 Cd1 O1W . 94.06(8) yes
O3 Cd1 O1W . 91.48(8) yes
O2 Cd1 N1 . 144.70(8) yes
O3 Cd1 N1 . 87.35(8) yes
O1W Cd1 N1 . 112.58(8) yes
O2 Cd1 N2 . 89.94(8) yes
O3 Cd1 N2 . 154.30(8) yes
O1W Cd1 N2 . 86.30(8) yes
N1 Cd1 N2 . 70.07(8) yes
Cd1 O1 C11 . 80.8(2) ?
Cd1 O1W H1W2 . 107(2) ?
Cd1 O1W H1W1 . 116(2) ?
H1W2 O1W H1W1 . 109.2(16) ?
C11 O2 Cd1 . 105.08(17) ?
C19 O3 Cd1 . 122.77(18) ?
C1 N1 C5 . 119.0(2) ?
C1 N1 Cd1 . 122.10(18) ?
C5 N1 Cd1 . 118.82(18) ?
C10 N2 C6 . 119.4(2) ?
C10 N2 Cd1 . 122.77(19) ?
C6 N2 Cd1 . 117.27(17) ?
N1 C1 C2 . 122.9(3) ?
N1 C1 H1 . 118.6 ?
C2 C1 H1 . 118.6 ?
C3 C2 C1 . 118.1(3) ?
C3 C2 H2 . 121.0 ?
C1 C2 H2 . 121.0 ?
C4 C3 C2 . 119.8(3) ?
C4 C3 H3 . 120.1 ?
C2 C3 H3 . 120.1 ?
C3 C4 C5 . 119.6(3) ?
C3 C4 H4 . 120.2 ?
C5 C4 H4 . 120.2 ?
N1 C5 C4 . 120.7(3) ?
N1 C5 C6 . 116.8(2) ?
C4 C5 C6 . 122.5(2) ?
N2 C6 C7 . 121.3(3) ?
N2 C6 C5 . 116.6(2) ?
C7 C6 C5 . 122.1(3) ?
C8 C7 C6 . 118.7(3) ?
C8 C7 H7 . 120.7 ?
C6 C7 H7 . 120.7 ?
C9 C8 C7 . 120.0(3) ?
C9 C8 H8 . 120.0 ?
C7 C8 H8 . 120.0 ?
C8 C9 C10 . 118.0(3) ?
C8 C9 H9 . 121.0 ?
C10 C9 H9 . 121.0 ?
N2 C10 C9 . 122.6(3) ?
N2 C10 H10 . 118.7 ?
C9 C10 H10 . 118.7 ?
O1 C11 O2 . 122.7(2) ?
O1 C11 C12 . 121.5(2) ?
O2 C11 C12 . 115.8(2) ?
C13 C12 C17 . 118.5(2) ?
C13 C12 C11 . 120.5(2) ?
C17 C12 C11 . 121.0(2) ?
C14 C13 C12 . 120.8(3) ?
C14 C13 H13 . 119.6 ?
C12 C13 H13 . 119.6 ?
C13 C14 C15 . 121.1(3) ?
C13 C14 H15 . 119.4 ?
C15 C14 H15 . 119.4 ?
C14 C15 C16 . 118.0(2) ?
C14 C15 C18 . 121.2(2) ?
C16 C15 C18 . 120.8(2) ?
C17 C16 C15 . 120.7(2) ?
C17 C16 H16 . 119.6 ?
C15 C16 H16 . 119.6 ?
C16 C17 C12 . 120.8(3) ?
C16 C17 H12 . 119.6 ?
C12 C17 H12 . 119.6 ?
C18 C18 C15 2_476 125.8(3) ?
C18 C18 H18 2_476 117.1 ?
C15 C18 H18 . 117.1 ?
O4 C19 O3 . 124.5(2) ?
O4 C19 C20 . 118.2(2) ?
O3 C19 C20 . 117.2(2) ?
C25 C20 C21 . 118.0(2) ?
C25 C20 C19 . 119.7(2) ?
C21 C20 C19 . 122.3(2) ?
C22 C21 C20 . 121.1(2) ?
C22 C21 H21 . 119.5 ?
C20 C21 H21 . 119.5 ?
C21 C22 C23 . 121.1(2) ?
C21 C22 H22 . 119.4 ?
C23 C22 H22 . 119.4 ?
C24 C23 C22 . 117.4(2) ?
C24 C23 C26 . 119.5(2) ?
C22 C23 C26 . 123.1(2) ?
C25 C24 C23 . 121.3(2) ?
C25 C24 H24 . 119.4 ?
C23 C24 H24 . 119.4 ?
C24 C25 C20 . 120.9(2) ?
C24 C25 H25 . 119.5 ?
C20 C25 H25 . 119.5 ?
C26 C26 C23 2_665 126.3(3) ?
C26 C26 H26 2_665 116.8 ?
C23 C26 H26 . 116.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 O2 . 2.209(2) yes
Cd1 O1 . 2.745(2) yes
Cd1 O3 . 2.2129(19) yes
Cd1 O1W . 2.291(2) yes
Cd1 N1 . 2.316(3) yes
Cd1 N2 . 2.375(2) yes
O1 C11 . 1.230(3) ?
O1W H1W2 . 0.85(4) ?
O1W H1W1 . 0.850(10) ?
O2 C11 . 1.274(3) ?
O3 C19 . 1.261(3) ?
O4 C19 . 1.236(3) ?
N1 C1 . 1.339(4) ?
N1 C5 . 1.348(3) ?
N2 C10 . 1.330(4) ?
N2 C6 . 1.335(3) ?
C1 C2 . 1.377(4) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.373(5) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.373(5) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.386(4) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.484(4) ?
C6 C7 . 1.389(4) ?
C7 C8 . 1.376(5) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.373(5) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.382(4) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 C12 . 1.506(3) ?
C12 C13 . 1.383(4) ?
C12 C17 . 1.388(4) ?
C13 C14 . 1.382(4) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.388(4) ?
C14 H15 . 0.9300 ?
C15 C16 . 1.394(4) ?
C15 C18 . 1.465(3) ?
C16 C17 . 1.385(4) ?
C16 H16 . 0.9300 ?
C17 H12 . 0.9300 ?
C18 C18 2_476 1.332(5) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.496(3) ?
C20 C25 . 1.388(3) ?
C20 C21 . 1.392(3) ?
C21 C22 . 1.377(3) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.399(4) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.395(4) ?
C23 C26 . 1.463(3) ?
C24 C25 . 1.380(3) ?
C24 H24 . 0.9300 ?
C25 H25 . 0.9300 ?
C26 C26 2_665 1.319(5) ?
C26 H26 . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1W H1W1 O2 2_566 0.850(10) 1.918(18) 2.697(3) 152(3) yes
O1W H1W2 O4 2_566 0.85(4) 1.81(4) 2.639(3) 167(3) yes
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_site_symmetry_4
_geom_torsion
O3 Cd1 O2 C11 . -111.71(18)
O1W Cd1 O2 C11 . 154.68(18)
N1 Cd1 O2 C11 . 14.6(3)
N2 Cd1 O2 C11 . 68.40(18)
O2 Cd1 O3 C19 . -22.1(3)
O1W Cd1 O3 C19 . 73.1(2)
N1 Cd1 O3 C19 . -174.3(2)
N2 Cd1 O3 C19 . 157.7(2)
O2 Cd1 N1 C1 . -125.3(2)
O3 Cd1 N1 C1 . 8.2(2)
O1W Cd1 N1 C1 . 98.7(2)
N2 Cd1 N1 C1 . 175.6(2)
O2 Cd1 N1 C5 . 58.1(3)
O3 Cd1 N1 C5 . -168.5(2)
O1W Cd1 N1 C5 . -78.0(2)
N2 Cd1 N1 C5 . -1.02(18)
O2 Cd1 N2 C10 . 25.7(2)
O3 Cd1 N2 C10 . -154.1(2)
O1W Cd1 N2 C10 . -68.4(2)
N1 Cd1 N2 C10 . 176.0(2)
O2 Cd1 N2 C6 . -145.44(19)
O3 Cd1 N2 C6 . 34.8(3)
O1W Cd1 N2 C6 . 120.49(19)
N1 Cd1 N2 C6 . 4.85(18)
C5 N1 C1 C2 . -0.4(4)
Cd1 N1 C1 C2 . -177.1(2)
N1 C1 C2 C3 . 0.0(5)
C1 C2 C3 C4 . -0.2(5)
C2 C3 C4 C5 . 0.8(5)
C1 N1 C5 C4 . 1.0(4)
Cd1 N1 C5 C4 . 177.7(2)
C1 N1 C5 C6 . -179.3(2)
Cd1 N1 C5 C6 . -2.5(3)
C3 C4 C5 N1 . -1.2(5)
C3 C4 C5 C6 . 179.1(3)
C10 N2 C6 C7 . 0.1(4)
Cd1 N2 C6 C7 . 171.6(2)
C10 N2 C6 C5 . -179.3(2)
Cd1 N2 C6 C5 . -7.8(3)
N1 C5 C6 N2 . 6.9(3)
C4 C5 C6 N2 . -173.3(3)
N1 C5 C6 C7 . -172.5(3)
C4 C5 C6 C7 . 7.3(4)
N2 C6 C7 C8 . -0.1(4)
C5 C6 C7 C8 . 179.3(3)
C6 C7 C8 C9 . 0.0(5)
C7 C8 C9 C10 . 0.1(5)
C6 N2 C10 C9 . -0.1(4)
Cd1 N2 C10 C9 . -171.0(2)
C8 C9 C10 N2 . 0.0(5)
Cd1 O2 C11 O1 . 3.9(3)
Cd1 O2 C11 C12 . -174.36(17)
O1 C11 C12 C13 . 176.0(3)
O2 C11 C12 C13 . -5.6(4)
O1 C11 C12 C17 . -1.5(4)
O2 C11 C12 C17 . 176.8(2)
C17 C12 C13 C14 . -1.0(5)
C11 C12 C13 C14 . -178.7(3)
C12 C13 C14 C15 . -0.7(5)
C13 C14 C15 C16 . 1.3(4)
C13 C14 C15 C18 . -178.7(3)
C14 C15 C16 C17 . -0.2(4)
C18 C15 C16 C17 . 179.8(2)
C15 C16 C17 C12 . -1.5(4)
C13 C12 C17 C16 . 2.1(4)
C11 C12 C17 C16 . 179.8(2)
C14 C15 C18 C18 2_476 16.2(5)
C16 C15 C18 C18 2_476 -163.8(3)
Cd1 O3 C19 O4 . 3.1(4)
Cd1 O3 C19 C20 . 178.25(17)
O4 C19 C20 C25 . 5.7(4)
O3 C19 C20 C25 . -169.8(3)
O4 C19 C20 C21 . -177.2(3)
O3 C19 C20 C21 . 7.3(4)
C25 C20 C21 C22 . 4.4(4)
C19 C20 C21 C22 . -172.8(2)
C20 C21 C22 C23 . -0.8(4)
C21 C22 C23 C24 . -3.3(4)
C21 C22 C23 C26 . 175.4(3)
C22 C23 C24 C25 . 3.9(4)
C26 C23 C24 C25 . -174.9(3)
C23 C24 C25 C20 . -0.4(4)
C21 C20 C25 C24 . -3.8(4)
C19 C20 C25 C24 . 173.5(3)
C24 C23 C26 C26 2_665 169.8(4)
C22 C23 C26 C26 2_665 -8.9(5)
