#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/21/2232123.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_2232123
loop_
_publ_author_name
'Zhang, Ling-Ling'
'Li, Shi-Kun'
'Feng, Jie'
'Lin, Qiu-Yue'
_publ_section_title
;
 Poly[[(2,2'-bipyridine)({μ}₃-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmium]
 monohydrate]
;
_journal_coeditor_code           ZB2016
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1390
_journal_page_last               m1391
_journal_paper_doi               10.1107/S1600536811036634
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C8 H8 O5) (C10 H8 N2)], H2 O'
_chemical_formula_moiety         'C18 H16 Cd N2 O5, H2 O'
_chemical_formula_sum            'C18 H18 Cd N2 O6'
_chemical_formula_weight         470.75
_chemical_name_systematic
;
Poly[[(2,2'-bipyridine)(μ₃-7-oxabicyclo[2.2.1]heptane-2,3-
dicarboxylato)cadmium] monohydrate]
;
_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           SHELXL-97
_cell_angle_alpha                111.7840(10)
_cell_angle_beta                 94.0660(10)
_cell_angle_gamma                102.7490(10)
_cell_formula_units_Z            2
_cell_length_a                   8.25990(10)
_cell_length_b                   10.5950(2)
_cell_length_c                   11.1097(2)
_cell_measurement_reflns_used    7860
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      2.00
_cell_volume                     867.94(3)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART APEXII 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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13190
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  .918
_exptl_absorpt_correction_T_min  .803
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             472
_exptl_crystal_size_max          .333
_exptl_crystal_size_mid          .141
_exptl_crystal_size_min          .066
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.564
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         3972
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.955
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+0.5090P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0578
_refine_ls_wR_factor_ref         0.0592
_reflns_number_gt                3699
_reflns_number_total             3972
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            zb2016.cif
_cod_data_source_block           global
_cod_original_cell_volume        867.94(2)
_cod_database_code               2232123
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
_atom_site_symmetry_multiplicity
Cd Cd1 0.622884(17) 0.135016(14) 0.438680(14) 0.02838(6) Uani d . 1 1
N N1 0.7226(2) 0.34613(18) 0.41261(17) 0.0312(4) Uani d . 1 1
N N2 0.5919(2) 0.32243(19) 0.62096(18) 0.0329(4) Uani d . 1 1
O O1W 0.4578(5) 0.1298(4) 0.0551(3) 0.1174(12) Uani d D 1 1
H H1WA 0.411(7) 0.057(5) -0.024(3) 0.176 Uiso d D 1 1
H H1WB 0.400(8) 0.088(6) 0.104(5) 0.176 Uiso d D 1 1
O O1 0.37311(19) -0.02140(17) 0.40538(16) 0.0371(3) Uani d . 1 1
O O2 0.3303(2) 0.11060(18) 0.30183(19) 0.0449(4) Uani d . 1 1
O O3 -0.3040(2) -0.0038(2) 0.22846(18) 0.0500(5) Uani d . 1 1
O O4 -0.1199(2) 0.09023(19) 0.40964(15) 0.0432(4) Uani d . 1 1
O O5 -0.0940(2) -0.27932(18) 0.14335(18) 0.0474(4) Uani d . 1 1
C C1 0.2765(2) 0.0124(2) 0.33481(19) 0.0274(4) Uani d . 1 1
C C2 0.0974(2) -0.0774(2) 0.29330(19) 0.0267(4) Uani d . 1 1
H H2A 0.0520 -0.0788 0.3721 0.032 Uiso calc R 1 1
C C3 0.0822(3) -0.2314(2) 0.1986(2) 0.0361(5) Uani d . 1 1
H H3A 0.1177 -0.2882 0.2426 0.043 Uiso calc R 1 1
C C4 0.1675(3) -0.2356(3) 0.0796(2) 0.0452(6) Uani d . 1 1
H H4A 0.1784 -0.3293 0.0290 0.054 Uiso calc R 1 1
H H4B 0.2776 -0.1685 0.1058 0.054 Uiso calc R 1 1
C C5 0.0417(4) -0.1935(4) 0.0024(3) 0.0565(7) Uani d . 1 1
H H5A 0.0937 -0.1068 -0.0067 0.068 Uiso calc R 1 1
H H5B -0.0049 -0.2675 -0.0841 0.068 Uiso calc R 1 1
C C6 -0.0928(3) -0.1738(3) 0.0910(2) 0.0439(6) Uani d . 1 1
H H6A -0.2029 -0.1827 0.0448 0.053 Uiso calc R 1 1
C C7 -0.0255(3) -0.0357(2) 0.21353(19) 0.0296(4) Uani d . 1 1
H H7A 0.0382 0.0371 0.1878 0.036 Uiso calc R 1 1
C C8 -0.1600(3) 0.0185(2) 0.2884(2) 0.0305(4) Uani d . 1 1
C C9 0.7903(3) 0.3532(3) 0.3088(2) 0.0402(5) Uani d . 1 1
H H9A 0.7896 0.2695 0.2400 0.048 Uiso calc R 1 1
C C10 0.8609(3) 0.4784(3) 0.2992(3) 0.0465(6) Uani d . 1 1
H H10A 0.9063 0.4794 0.2252 0.056 Uiso calc R 1 1
C C11 0.8631(4) 0.6025(3) 0.4012(3) 0.0477(6) Uani d . 1 1
H H11A 0.9115 0.6889 0.3979 0.057 Uiso calc R 1 1
C C12 0.7923(3) 0.5967(2) 0.5088(2) 0.0407(5) Uani d . 1 1
H H12A 0.7914 0.6793 0.5784 0.049 Uiso calc R 1 1
C C13 0.7229(3) 0.4670(2) 0.5117(2) 0.0295(4) Uani d . 1 1
C C14 0.6425(3) 0.4529(2) 0.6236(2) 0.0295(4) Uani d . 1 1
C C15 0.6177(3) 0.5688(2) 0.7256(2) 0.0393(5) Uani d . 1 1
H H15A 0.6548 0.6591 0.7273 0.047 Uiso calc R 1 1
C C16 0.5372(4) 0.5476(3) 0.8235(2) 0.0476(6) Uani d . 1 1
H H16A 0.5199 0.6237 0.8924 0.057 Uiso calc R 1 1
C C17 0.4825(3) 0.4128(3) 0.8190(2) 0.0463(6) Uani d . 1 1
H H17A 0.4261 0.3964 0.8835 0.056 Uiso calc R 1 1
C C18 0.5134(3) 0.3037(3) 0.7171(2) 0.0410(5) Uani d . 1 1
H H18A 0.4784 0.2129 0.7145 0.049 Uiso calc R 1 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Cd1 O4 . 1_655 127.85(6)
O1 Cd1 N2 . . 99.82(6)
O4 Cd1 N2 1_655 . 121.75(6)
O1 Cd1 N1 . . 137.35(6)
O4 Cd1 N1 1_655 . 88.94(6)
N2 Cd1 N1 . . 70.49(6)
O1 Cd1 O1 . 2_656 69.81(6)
O4 Cd1 O1 1_655 2_656 84.38(6)
N2 Cd1 O1 . 2_656 83.14(6)
N1 Cd1 O1 . 2_656 143.93(6)
O1 Cd1 O3 . 1_655 93.72(6)
O4 Cd1 O3 1_655 1_655 54.58(6)
N2 Cd1 O3 . 1_655 162.62(7)
N1 Cd1 O3 . 1_655 92.16(7)
O1 Cd1 O3 2_656 1_655 111.97(6)
O1 Cd1 O2 . . 51.77(5)
O4 Cd1 O2 1_655 . 141.20(6)
N2 Cd1 O2 . . 92.73(6)
N1 Cd1 O2 . . 86.47(5)
O1 Cd1 O2 2_656 . 119.82(5)
O3 Cd1 O2 1_655 . 87.10(6)
O1 Cd1 C8 . 1_655 112.42(6)
O4 Cd1 C8 1_655 1_655 27.27(6)
N2 Cd1 C8 . 1_655 146.41(7)
N1 Cd1 C8 . 1_655 90.67(6)
O1 Cd1 C8 2_656 1_655 98.88(6)
O3 Cd1 C8 1_655 1_655 27.32(6)
O2 Cd1 C8 . 1_655 114.24(6)
O1 Cd1 C1 . . 26.07(5)
O4 Cd1 C1 1_655 . 140.84(6)
N2 Cd1 C1 . . 96.88(6)
N1 Cd1 C1 . . 111.81(6)
O1 Cd1 C1 2_656 . 95.02(5)
O3 Cd1 C1 1_655 . 90.48(6)
O2 Cd1 C1 . . 25.70(5)
C8 Cd1 C1 1_655 . 116.18(6)
O1 Cd1 Cd1 . 2_656 36.61(4)
O4 Cd1 Cd1 1_655 2_656 107.21(5)
N2 Cd1 Cd1 . 2_656 91.35(5)
N1 Cd1 Cd1 . 2_656 160.51(4)
O1 Cd1 Cd1 2_656 2_656 33.21(4)
O3 Cd1 Cd1 1_655 2_656 105.99(5)
O2 Cd1 Cd1 . 2_656 87.42(3)
C8 Cd1 Cd1 1_655 2_656 108.70(4)
C1 Cd1 Cd1 . 2_656 62.06(4)
C9 N1 C13 . . 118.48(19)
C9 N1 Cd1 . . 123.34(14)
C13 N1 Cd1 . . 117.99(14)
C18 N2 C14 . . 119.07(19)
C18 N2 Cd1 . . 122.58(15)
C14 N2 Cd1 . . 118.11(14)
H1WA O1W H1WB . . 95(2)
C1 O1 Cd1 . . 103.02(13)
C1 O1 Cd1 . 2_656 143.44(13)
Cd1 O1 Cd1 . 2_656 110.19(6)
C1 O2 Cd1 . . 84.22(12)
C8 O3 Cd1 . 1_455 88.27(13)
C8 O4 Cd1 . 1_455 95.58(13)
C3 O5 C6 . . 96.14(17)
O2 C1 O1 . . 120.98(19)
O2 C1 C2 . . 123.43(18)
O1 C1 C2 . . 115.57(17)
O2 C1 Cd1 . . 70.08(12)
O1 C1 Cd1 . . 50.91(10)
C2 C1 Cd1 . . 166.44(14)
C1 C2 C7 . . 117.17(16)
C1 C2 C3 . . 112.65(16)
C7 C2 C3 . . 101.19(16)
C1 C2 H2A . . 108.5
C7 C2 H2A . . 108.5
C3 C2 H2A . . 108.5
O5 C3 C4 . . 102.84(19)
O5 C3 C2 . . 101.22(16)
C4 C3 C2 . . 110.98(19)
O5 C3 H3A . . 113.6
C4 C3 H3A . . 113.6
C2 C3 H3A . . 113.6
C3 C4 C5 . . 101.08(19)
C3 C4 H4A . . 111.6
C5 C4 H4A . . 111.6
C3 C4 H4B . . 111.6
C5 C4 H4B . . 111.6
H4A C4 H4B . . 109.4
C6 C5 C4 . . 101.4(2)
C6 C5 H5A . . 111.5
C4 C5 H5A . . 111.5
C6 C5 H5B . . 111.5
C4 C5 H5B . . 111.5
H5A C5 H5B . . 109.3
O5 C6 C5 . . 102.7(2)
O5 C6 C7 . . 102.64(18)
C5 C6 C7 . . 109.6(2)
O5 C6 H6A . . 113.6
C5 C6 H6A . . 113.6
C7 C6 H6A . . 113.6
C8 C7 C6 . . 114.70(18)
C8 C7 C2 . . 113.22(16)
C6 C7 C2 . . 101.20(17)
C8 C7 H7A . . 109.1
C6 C7 H7A . . 109.1
C2 C7 H7A . . 109.1
O3 C8 O4 . . 121.56(19)
O3 C8 C7 . . 120.25(19)
O4 C8 C7 . . 118.12(18)
O3 C8 Cd1 . 1_455 64.41(12)
O4 C8 Cd1 . 1_455 57.15(11)
C7 C8 Cd1 . 1_455 174.70(15)
N1 C9 C10 . . 123.0(2)
N1 C9 H9A . . 118.5
C10 C9 H9A . . 118.5
C9 C10 C11 . . 118.7(2)
C9 C10 H10A . . 120.7
C11 C10 H10A . . 120.7
C10 C11 C12 . . 119.0(2)
C10 C11 H11A . . 120.5
C12 C11 H11A . . 120.5
C13 C12 C11 . . 119.3(2)
C13 C12 H12A . . 120.4
C11 C12 H12A . . 120.4
N1 C13 C12 . . 121.7(2)
N1 C13 C14 . . 116.21(18)
C12 C13 C14 . . 122.13(19)
N2 C14 C15 . . 121.1(2)
N2 C14 C13 . . 116.89(18)
C15 C14 C13 . . 121.98(19)
C16 C15 C14 . . 119.0(2)
C16 C15 H15A . . 120.5
C14 C15 H15A . . 120.5
C15 C16 C17 . . 119.7(2)
C15 C16 H16A . . 120.2
C17 C16 H16A . . 120.2
C18 C17 C16 . . 118.4(2)
C18 C17 H17A . . 120.8
C16 C17 H17A . . 120.8
N2 C18 C17 . . 122.8(2)
N2 C18 H18A . . 118.6
C17 C18 H18A . . 118.6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cd1 O1 . 2.2511(15)
Cd1 O4 1_655 2.2963(16)
Cd1 N2 . 2.3285(18)
Cd1 N1 . 2.3382(17)
Cd1 O1 2_656 2.4513(15)
Cd1 O3 1_655 2.4546(17)
Cd1 O2 . 2.6704(17)
Cd1 C8 1_655 2.720(2)
Cd1 C1 . 2.826(2)
N1 C9 . 1.336(3)
N1 C13 . 1.343(3)
N2 C18 . 1.341(3)
N2 C14 . 1.341(3)
O1W H1WA . 0.915(19)
O1W H1WB . 0.922(19)
O1 C1 . 1.275(2)
O1 Cd1 2_656 2.4513(15)
O2 C1 . 1.232(3)
O3 C8 . 1.249(3)
O3 Cd1 1_455 2.4546(17)
O4 C8 . 1.252(3)
O4 Cd1 1_455 2.2963(16)
O5 C3 . 1.438(3)
O5 C6 . 1.438(3)
C1 C2 . 1.504(3)
C2 C7 . 1.540(3)
C2 C3 . 1.550(3)
C2 H2A . 0.9800
C3 C4 . 1.533(3)
C3 H3A . 0.9800
C4 C5 . 1.541(4)
C4 H4A . 0.9700
C4 H4B . 0.9700
C5 C6 . 1.534(3)
C5 H5A . 0.9700
C5 H5B . 0.9700
C6 C7 . 1.535(3)
C6 H6A . 0.9800
C7 C8 . 1.521(3)
C7 H7A . 0.9800
C8 Cd1 1_455 2.720(2)
C9 C10 . 1.373(3)
C9 H9A . 0.9300
C10 C11 . 1.377(4)
C10 H10A . 0.9300
C11 C12 . 1.383(3)
C11 H11A . 0.9300
C12 C13 . 1.381(3)
C12 H12A . 0.9300
C13 C14 . 1.490(3)
C14 C15 . 1.395(3)
C15 C16 . 1.376(4)
C15 H15A . 0.9300
C16 C17 . 1.380(4)
C16 H16A . 0.9300
C17 C18 . 1.373(3)
C17 H17A . 0.9300
C18 H18A . 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
O1W H1WA O3 2 0.915(19) 2.19(4) 2.980(4) 144(5)
O1W H1WA O1W 2_655 0.915(19) 2.38(6) 2.833(8) 110(5)
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_1
_geom_torsion_site_symmetry_4
_geom_torsion
O1 Cd1 N1 C9 . . -98.43(19)
O4 Cd1 N1 C9 1_655 . 53.92(18)
N2 Cd1 N1 C9 . . 178.32(19)
O1 Cd1 N1 C9 2_656 . 132.87(17)
O3 Cd1 N1 C9 1_655 . -0.57(18)
O2 Cd1 N1 C9 . . -87.53(18)
C8 Cd1 N1 C9 1_655 . 26.71(18)
C1 Cd1 N1 C9 . . -91.96(18)
Cd1 Cd1 N1 C9 2_656 . -159.50(14)
O1 Cd1 N1 C13 . . 86.62(17)
O4 Cd1 N1 C13 1_655 . -121.02(15)
N2 Cd1 N1 C13 . . 3.37(14)
O1 Cd1 N1 C13 2_656 . -42.07(19)
O3 Cd1 N1 C13 1_655 . -175.52(15)
O2 Cd1 N1 C13 . . 97.52(15)
C8 Cd1 N1 C13 1_655 . -148.23(15)
C1 Cd1 N1 C13 . . 93.09(15)
Cd1 Cd1 N1 C13 2_656 . 25.6(2)
O1 Cd1 N2 C18 . . 37.44(19)
O4 Cd1 N2 C18 1_655 . -109.65(19)
N1 Cd1 N2 C18 . . 174.4(2)
O1 Cd1 N2 C18 2_656 . -30.63(18)
O3 Cd1 N2 C18 1_655 . 178.09(18)
O2 Cd1 N2 C18 . . 89.09(18)
C8 Cd1 N2 C18 1_655 . -126.37(18)
C1 Cd1 N2 C18 . . 63.63(19)
Cd1 Cd1 N2 C18 2_656 . 1.61(18)
O1 Cd1 N2 C14 . . -136.90(15)
O4 Cd1 N2 C14 1_655 . 76.02(16)
N1 Cd1 N2 C14 . . 0.04(14)
O1 Cd1 N2 C14 2_656 . 155.04(16)
O3 Cd1 N2 C14 1_655 . 3.8(3)
O2 Cd1 N2 C14 . . -85.25(15)
C8 Cd1 N2 C14 1_655 . 59.3(2)
C1 Cd1 N2 C14 . . -110.71(15)
Cd1 Cd1 N2 C14 2_656 . -172.72(15)
O4 Cd1 O1 C1 1_655 . -130.25(12)
N2 Cd1 O1 C1 . . 85.57(13)
N1 Cd1 O1 C1 . . 13.77(17)
O1 Cd1 O1 C1 2_656 . 164.46(17)
O3 Cd1 O1 C1 1_655 . -83.48(13)
O2 Cd1 O1 C1 . . -0.13(11)
C8 Cd1 O1 C1 1_655 . -104.04(13)
Cd1 Cd1 O1 C1 2_656 . 164.46(17)
O4 Cd1 O1 Cd1 1_655 2_656 65.30(9)
N2 Cd1 O1 Cd1 . 2_656 -78.88(7)
N1 Cd1 O1 Cd1 . 2_656 -150.68(7)
O1 Cd1 O1 Cd1 2_656 2_656 0.0
O3 Cd1 O1 Cd1 1_655 2_656 112.06(7)
O2 Cd1 O1 Cd1 . 2_656 -164.59(10)
C8 Cd1 O1 Cd1 1_655 2_656 91.51(8)
C1 Cd1 O1 Cd1 . 2_656 -164.46(17)
O1 Cd1 O2 C1 . . 0.13(12)
O4 Cd1 O2 C1 1_655 . 105.62(14)
N2 Cd1 O2 C1 . . -100.23(13)
N1 Cd1 O2 C1 . . -170.48(13)
O1 Cd1 O2 C1 2_656 . -16.58(15)
O3 Cd1 O2 C1 1_655 . 97.17(13)
C8 Cd1 O2 C1 1_655 . 100.38(13)
Cd1 Cd1 O2 C1 2_656 . -9.00(12)
Cd1 O2 C1 O1 . . -0.22(19)
Cd1 O2 C1 C2 . . -178.62(18)
Cd1 O1 C1 O2 . . 0.3(2)
Cd1 O1 C1 O2 2_656 . 155.28(18)
Cd1 O1 C1 C2 . . 178.79(13)
Cd1 O1 C1 C2 2_656 . -26.2(3)
Cd1 O1 C1 Cd1 2_656 . 155.0(3)
O1 Cd1 C1 O2 . . -179.8(2)
O4 Cd1 C1 O2 1_655 . -107.13(14)
N2 Cd1 C1 O2 . . 81.94(13)
N1 Cd1 C1 O2 . . 10.24(14)
O1 Cd1 C1 O2 2_656 . 165.61(13)
O3 Cd1 C1 O2 1_655 . -82.28(13)
C8 Cd1 C1 O2 1_655 . -91.92(13)
Cd1 Cd1 C1 O2 2_656 . 169.82(14)
O4 Cd1 C1 O1 1_655 . 72.63(16)
N2 Cd1 C1 O1 . . -98.30(13)
N1 Cd1 C1 O1 . . -170.00(12)
O1 Cd1 C1 O1 2_656 . -14.62(16)
O3 Cd1 C1 O1 1_655 . 97.48(13)
O2 Cd1 C1 O1 . . 179.8(2)
C8 Cd1 C1 O1 1_655 . 87.84(13)
Cd1 Cd1 C1 O1 2_656 . -10.42(11)
O1 Cd1 C1 C2 . . -4.7(5)
O4 Cd1 C1 C2 1_655 . 68.0(6)
N2 Cd1 C1 C2 . . -103.0(6)
N1 Cd1 C1 C2 . . -174.7(5)
O1 Cd1 C1 C2 2_656 . -19.3(6)
O3 Cd1 C1 C2 1_655 . 92.8(6)
O2 Cd1 C1 C2 . . 175.1(6)
C8 Cd1 C1 C2 1_655 . 83.2(6)
Cd1 Cd1 C1 C2 2_656 . -15.1(5)
O2 C1 C2 C7 . . -4.4(3)
O1 C1 C2 C7 . . 177.14(17)
Cd1 C1 C2 C7 . . -178.8(5)
O2 C1 C2 C3 . . 112.4(2)
O1 C1 C2 C3 . . -66.1(2)
Cd1 C1 C2 C3 . . -62.1(6)
C6 O5 C3 C4 . . -56.7(2)
C6 O5 C3 C2 . . 58.15(19)
C1 C2 C3 O5 . . -162.72(17)
C7 C2 C3 O5 . . -36.8(2)
C1 C2 C3 C4 . . -54.1(2)
C7 C2 C3 C4 . . 71.8(2)
O5 C3 C4 C5 . . 34.9(2)
C2 C3 C4 C5 . . -72.7(2)
C3 C4 C5 C6 . . -0.3(3)
C3 O5 C6 C5 . . 56.3(2)
C3 O5 C6 C7 . . -57.48(19)
C4 C5 C6 O5 . . -34.4(3)
C4 C5 C6 C7 . . 74.2(3)
O5 C6 C7 C8 . . -88.6(2)
C5 C6 C7 C8 . . 162.76(19)
O5 C6 C7 C2 . . 33.6(2)
C5 C6 C7 C2 . . -75.0(2)
C1 C2 C7 C8 . . -111.9(2)
C3 C2 C7 C8 . . 125.18(18)
C1 C2 C7 C6 . . 124.80(19)
C3 C2 C7 C6 . . 1.9(2)
Cd1 O3 C8 O4 1_455 . -0.2(2)
Cd1 O3 C8 C7 1_455 . -177.16(17)
Cd1 O4 C8 O3 1_455 . 0.2(2)
Cd1 O4 C8 C7 1_455 . 177.23(16)
C6 C7 C8 O3 . . -31.7(3)
C2 C7 C8 O3 . . -147.1(2)
C6 C7 C8 O4 . . 151.3(2)
C2 C7 C8 O4 . . 35.8(3)
C13 N1 C9 C10 . . 0.4(4)
Cd1 N1 C9 C10 . . -174.6(2)
N1 C9 C10 C11 . . 0.4(4)
C9 C10 C11 C12 . . -0.9(4)
C10 C11 C12 C13 . . 0.7(4)
C9 N1 C13 C12 . . -0.6(3)
Cd1 N1 C13 C12 . . 174.62(17)
C9 N1 C13 C14 . . 178.72(19)
Cd1 N1 C13 C14 . . -6.1(2)
C11 C12 C13 N1 . . 0.1(4)
C11 C12 C13 C14 . . -179.2(2)
C18 N2 C14 C15 . . 1.2(3)
Cd1 N2 C14 C15 . . 175.77(16)
C18 N2 C14 C13 . . -177.6(2)
Cd1 N2 C14 C13 . . -3.1(2)
N1 C13 C14 N2 . . 6.1(3)
C12 C13 C14 N2 . . -174.6(2)
N1 C13 C14 C15 . . -172.8(2)
C12 C13 C14 C15 . . 6.5(3)
N2 C14 C15 C16 . . -1.1(3)
C13 C14 C15 C16 . . 177.7(2)
C14 C15 C16 C17 . . -0.2(4)
C15 C16 C17 C18 . . 1.2(4)
C14 N2 C18 C17 . . -0.1(4)
Cd1 N2 C18 C17 . . -174.43(19)
C16 C17 C18 N2 . . -1.1(4)
