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#$Date: 2019-11-28 19:36:42 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244417 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/07/4350721.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_4350721
loop_
_publ_author_name
'Rambabu, Darsi'
'Pradeep, Chullikkattil P.'
'Dhir, Abhimanew'
_publ_section_title
;
 Nano dispersion of 3D Cd(ii) coordination polymer: synthetic blood plasma
 anticoagulant
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              163
_journal_paper_doi               10.1039/c3qi00013c
_journal_volume                  1
_journal_year                    2014
_chemical_formula_sum            'C21 H13 Cd N O4'
_chemical_formula_weight         455.72
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        '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                112.221(5)
_cell_angle_beta                 95.625(5)
_cell_angle_gamma                105.097(5)
_cell_formula_units_Z            2
_cell_length_a                   7.858(5)
_cell_length_b                   10.508(5)
_cell_length_c                   11.554(5)
_cell_measurement_temperature    150(2)
_cell_volume                     831.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4423
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.341
_exptl_absorpt_correction_T_max  0.8449
_exptl_absorpt_correction_T_min  0.7478
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.260
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4423
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0506
_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)+(0.1020P)²+1.3519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1342
_refine_ls_wR_factor_ref         0.1371
_reflns_number_gt                4100
_reflns_number_total             4423
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3qi00013c.txt
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4350721
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
Cd1 Cd 0.74245(6) 0.98332(4) 0.46336(3) 0.01454(15) Uani 1 1 d .
O1 O 0.6868(5) 0.7806(4) 0.2806(4) 0.0215(9) Uani 1 1 d .
O2 O 1.0237(5) 1.1317(4) 0.6273(4) 0.0218(9) Uani 1 1 d .
O3 O 0.5847(6) 1.0424(4) 0.6287(3) 0.0188(8) Uani 1 1 d .
O4 O 0.7176(5) 0.8776(4) 0.6065(4) 0.0213(8) Uani 1 1 d .
N1 N 0.8261(7) 1.1554(5) 0.3883(5) 0.0261(11) Uani 1 1 d .
C1 C 0.7911(9) 1.2794(7) 0.4302(6) 0.0337(15) Uani 1 1 d .
C2 C 0.7226(10) 1.3185(7) 0.5406(7) 0.0356(15) Uani 1 1 d .
H2 H 0.7017 1.2564 0.5835 0.043 Uiso 1 1 calc R
C3 C 0.6848(12) 1.4483(7) 0.5881(8) 0.0463(19) Uani 1 1 d .
H3 H 0.6389 1.4751 0.6637 0.056 Uiso 1 1 calc R
C4 C 0.7138(13) 1.5396(9) 0.5255(9) 0.055(2) Uani 1 1 d .
H4 H 0.6889 1.6288 0.5589 0.066 Uiso 1 1 calc R
C5 C 0.7782(12) 1.5006(8) 0.4158(8) 0.048(2) Uani 1 1 d .
H5 H 0.7967 1.5636 0.3738 0.058 Uiso 1 1 calc R
C6 C 0.8166(10) 1.3740(7) 0.3648(7) 0.0403(17) Uani 1 1 d .
C7 C 0.8822(11) 1.3287(8) 0.2534(8) 0.0465(19) Uani 1 1 d .
H7 H 0.8989 1.3864 0.2064 0.056 Uiso 1 1 calc R
C8 C 0.9223(10) 1.2038(8) 0.2115(8) 0.0418(18) Uani 1 1 d .
H8 H 0.9676 1.1734 0.1358 0.050 Uiso 1 1 calc R
C9 C 0.8959(9) 1.1199(8) 0.2818(7) 0.0328(15) Uani 1 1 d .
H9 H 0.9283 1.0338 0.2536 0.039 Uiso 1 1 calc R
C10 C 0.8460(8) 0.7772(5) 0.2829(5) 0.0157(11) Uani 1 1 d .
C11 C 0.8780(8) 0.6618(6) 0.1695(5) 0.0179(11) Uani 1 1 d .
C12 C 0.7274(8) 0.5515(7) 0.0762(6) 0.0251(13) Uani 1 1 d .
H12 H 0.6088 0.5508 0.0869 0.030 Uiso 1 1 calc R
C13 C 0.7498(8) 0.4465(7) -0.0286(6) 0.0262(14) Uani 1 1 d .
H13 H 0.6470 0.3732 -0.0904 0.031 Uiso 1 1 calc R
C14 C 0.9249(8) 0.4457(6) -0.0462(5) 0.0201(12) Uani 1 1 d .
C15 C 1.0482(8) 0.6629(6) 0.1550(5) 0.0182(11) Uani 1 1 d .
H15 H 1.1495 0.7367 0.2180 0.022 Uiso 1 1 calc R
C16 C 0.6344(7) 0.9568(6) 0.6669(5) 0.0163(11) Uani 1 1 d .
C17 C 0.5938(8) 0.9538(6) 0.7902(5) 0.0173(11) Uani 1 1 d .
C18 C 0.6336(8) 0.8518(6) 0.8301(5) 0.0215(12) Uani 1 1 d .
H18 H 0.6861 0.7846 0.7789 0.026 Uiso 1 1 calc R
C19 C 0.5968(8) 0.8493(6) 0.9424(5) 0.0221(12) Uani 1 1 d .
H19 H 0.6236 0.7798 0.9685 0.027 Uiso 1 1 calc R
C20 C 0.5189(7) 1.0507(6) 0.8629(5) 0.0178(11) Uani 1 1 d .
H20 H 0.4922 1.1186 0.8344 0.021 Uiso 1 1 calc R
C21 C 0.4803(7) 1.0518(6) 0.9799(5) 0.0172(11) Uani 1 1 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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Cd1 N1 100.04(18) . .
O1 Cd1 O4 98.78(15) . .
N1 Cd1 O4 159.52(18) . .
O1 Cd1 O3 132.10(15) . .
N1 Cd1 O3 114.41(17) . .
O4 Cd1 O3 56.09(13) . .
O1 Cd1 O2 129.93(14) . .
N1 Cd1 O2 83.78(17) . .
O4 Cd1 O2 77.96(14) . .
O3 Cd1 O2 87.65(15) . .
O1 Cd1 O2 54.04(14) . 2_776
N1 Cd1 O2 91.82(16) . 2_776
O4 Cd1 O2 92.72(13) . 2_776
O3 Cd1 O2 147.56(13) . 2_776
O2 Cd1 O2 76.05(14) . 2_776
O1 Cd1 O3 81.76(13) . 2_676
N1 Cd1 O3 85.21(15) . 2_676
O4 Cd1 O3 105.47(13) . 2_676
O3 Cd1 O3 69.71(14) . 2_676
O2 Cd1 O3 147.84(12) . 2_676
O2 Cd1 O3 134.50(12) 2_776 2_676
O1 Cd1 C16 118.83(17) . .
N1 Cd1 C16 139.35(19) . .
O4 Cd1 C16 27.76(15) . .
O3 Cd1 C16 28.42(15) . .
O2 Cd1 C16 80.25(15) . .
O2 Cd1 C16 119.69(14) 2_776 .
O3 Cd1 C16 88.82(14) 2_676 .
O1 Cd1 C10 26.99(16) . .
N1 Cd1 C10 96.16(18) . .
O4 Cd1 C10 96.95(15) . .
O3 Cd1 C10 148.66(15) . .
O2 Cd1 C10 103.08(15) . .
O2 Cd1 C10 27.06(15) 2_776 .
O3 Cd1 C10 108.10(14) 2_676 .
C16 Cd1 C10 123.77(16) . .
C10 O1 Cd1 98.4(3) . .
C10 O2 Cd1 170.4(3) 2_776 .
C10 O2 Cd1 85.1(3) 2_776 2_776
Cd1 O2 Cd1 103.95(14) . 2_776
C16 O3 Cd1 89.5(3) . .
C16 O3 Cd1 126.9(4) . 2_676
Cd1 O3 Cd1 110.29(14) . 2_676
C16 O4 Cd1 92.1(3) . .
C1 N1 C9 117.6(6) . .
C1 N1 Cd1 124.7(5) . .
C9 N1 Cd1 117.1(4) . .
N1 C1 C2 118.2(6) . .
N1 C1 C6 122.9(6) . .
C2 C1 C6 118.8(6) . .
C3 C2 C1 120.0(7) . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C2 C3 C4 120.4(8) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C5 C4 C3 119.9(7) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.1 . .
C6 C5 C4 122.1(7) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C5 C6 C7 124.6(7) . .
C5 C6 C1 118.8(7) . .
C7 C6 C1 116.6(7) . .
C8 C7 C6 120.9(7) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C7 C8 C9 118.7(7) . .
C7 C8 H8 120.7 . .
C9 C8 H8 120.7 . .
N1 C9 C8 123.3(7) . .
N1 C9 H9 118.4 . .
C8 C9 H9 118.4 . .
O2 C10 O1 122.4(5) 2_776 .
O2 C10 C11 120.1(5) 2_776 .
O1 C10 C11 117.4(5) . .
O2 C10 Cd1 67.8(3) 2_776 .
O1 C10 Cd1 54.6(3) . .
C11 C10 Cd1 171.1(4) . .
C15 C11 C12 119.8(5) . .
C15 C11 C10 121.4(5) . .
C12 C11 C10 118.8(5) . .
C13 C12 C11 120.9(6) . .
C13 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C12 C13 C14 120.4(6) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C14 C14 C13 119.1(6) 2_765 .
C14 C14 C15 119.4(7) 2_765 2_765
C13 C14 C15 121.5(5) . 2_765
C11 C15 C14 120.4(5) . 2_765
C11 C15 H15 119.8 . .
C14 C15 H15 119.8 2_765 .
O4 C16 O3 122.0(5) . .
O4 C16 C17 119.4(5) . .
O3 C16 C17 118.6(5) . .
O4 C16 Cd1 60.2(3) . .
O3 C16 Cd1 62.1(3) . .
C17 C16 Cd1 173.6(4) . .
C20 C17 C18 120.5(5) . .
C20 C17 C16 119.4(5) . .
C18 C17 C16 120.1(5) . .
C19 C18 C17 120.1(5) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C21 120.9(5) . 2_677
C18 C19 H19 119.5 . .
C21 C19 H19 119.5 2_677 .
C17 C20 C21 121.0(5) . .
C17 C20 H20 119.5 . .
C21 C20 H20 119.5 . .
C19 C21 C20 122.4(5) 2_677 .
C19 C21 C21 119.0(6) 2_677 2_677
C20 C21 C21 118.6(6) . 2_677
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.262(4) .
Cd1 N1 2.266(5) .
Cd1 O4 2.313(4) .
Cd1 O3 2.354(4) .
Cd1 O2 2.460(4) .
Cd1 O2 2.551(4) 2_776
Cd1 O3 2.588(4) 2_676
Cd1 C16 2.664(5) .
Cd1 C10 2.745(5) .
O1 C10 1.259(7) .
O2 C10 1.253(7) 2_776
O2 Cd1 2.551(4) 2_776
O3 C16 1.268(6) .
O3 Cd1 2.588(4) 2_676
O4 C16 1.241(7) .
N1 C1 1.320(8) .
N1 C9 1.358(9) .
C1 C2 1.393(10) .
C1 C6 1.448(10) .
C2 C3 1.388(9) .
C2 H2 0.9500 .
C3 C4 1.392(12) .
C3 H3 0.9500 .
C4 C5 1.368(13) .
C4 H4 0.9500 .
C5 C6 1.363(11) .
C5 H5 0.9500 .
C6 C7 1.394(12) .
C7 C8 1.349(11) .
C7 H7 0.9500 .
C8 C9 1.400(9) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 O2 1.253(7) 2_776
C10 C11 1.508(7) .
C11 C15 1.362(8) .
C11 C12 1.413(8) .
C12 C13 1.359(9) .
C12 H12 0.9500 .
C13 C14 1.412(8) .
C13 H13 0.9500 .
C14 C14 1.402(11) 2_765
C14 C15 1.421(8) 2_765
C15 C14 1.421(8) 2_765
C15 H15 0.9500 .
C16 C17 1.499(8) .
C17 C20 1.360(8) .
C17 C18 1.407(8) .
C18 C19 1.365(8) .
C18 H18 0.9500 .
C19 C21 1.408(8) 2_677
C19 H19 0.9500 .
C20 C21 1.411(8) .
C20 H20 0.9500 .
C21 C19 1.408(8) 2_677
C21 C21 1.424(10) 2_677
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_4
N1 Cd1 O1 C10 83.8(3) . .
O4 Cd1 O1 C10 -88.1(3) . .
O3 Cd1 O1 C10 -139.7(3) . .
O2 Cd1 O1 C10 -6.5(4) . .
O2 Cd1 O1 C10 -1.1(3) 2_776 .
O3 Cd1 O1 C10 167.4(3) 2_676 .
C16 Cd1 O1 C10 -108.5(3) . .
O1 Cd1 O2 C10 165(2) . 2_776
N1 Cd1 O2 C10 67(2) . 2_776
O4 Cd1 O2 C10 -103(2) . 2_776
O3 Cd1 O2 C10 -47(2) . 2_776
O2 Cd1 O2 C10 161(2) 2_776 2_776
O3 Cd1 O2 C10 -3(2) 2_676 2_776
C16 Cd1 O2 C10 -75(2) . 2_776
C10 Cd1 O2 C10 162(2) . 2_776
O1 Cd1 O2 Cd1 4.5(2) . 2_776
N1 Cd1 O2 Cd1 -93.44(18) . 2_776
O4 Cd1 O2 Cd1 95.91(15) . 2_776
O3 Cd1 O2 Cd1 151.70(16) . 2_776
O2 Cd1 O2 Cd1 0.0 2_776 2_776
O3 Cd1 O2 Cd1 -164.11(17) 2_676 2_776
C16 Cd1 O2 Cd1 124.09(17) . 2_776
C10 Cd1 O2 Cd1 1.47(18) . 2_776
O1 Cd1 O3 C16 72.3(4) . .
N1 Cd1 O3 C16 -155.8(3) . .
O4 Cd1 O3 C16 3.3(3) . .
O2 Cd1 O3 C16 -73.7(3) . .
O2 Cd1 O3 C16 -14.7(5) 2_776 .
O3 Cd1 O3 C16 129.6(4) 2_676 .
C10 Cd1 O3 C16 37.9(5) . .
O1 Cd1 O3 Cd1 -57.3(2) . 2_676
N1 Cd1 O3 Cd1 74.6(2) . 2_676
O4 Cd1 O3 Cd1 -126.2(2) . 2_676
O2 Cd1 O3 Cd1 156.70(17) . 2_676
O2 Cd1 O3 Cd1 -144.24(19) 2_776 2_676
O3 Cd1 O3 Cd1 0.0 2_676 2_676
C16 Cd1 O3 Cd1 -129.6(4) . 2_676
C10 Cd1 O3 Cd1 -91.7(3) . 2_676
O1 Cd1 O4 C16 -138.9(3) . .
N1 Cd1 O4 C16 64.4(6) . .
O3 Cd1 O4 C16 -3.4(3) . .
O2 Cd1 O4 C16 91.9(3) . .
O2 Cd1 O4 C16 167.0(3) 2_776 .
O3 Cd1 O4 C16 -55.1(3) 2_676 .
C10 Cd1 O4 C16 -166.1(3) . .
O1 Cd1 N1 C1 145.4(5) . .
O4 Cd1 N1 C1 -58.1(7) . .
O3 Cd1 N1 C1 -0.5(5) . .
O2 Cd1 N1 C1 -85.1(5) . .
O2 Cd1 N1 C1 -160.8(5) 2_776 .
O3 Cd1 N1 C1 64.7(5) 2_676 .
C16 Cd1 N1 C1 -17.9(6) . .
C10 Cd1 N1 C1 172.4(5) . .
O1 Cd1 N1 C9 -25.5(5) . .
O4 Cd1 N1 C9 131.0(5) . .
O3 Cd1 N1 C9 -171.4(4) . .
O2 Cd1 N1 C9 104.0(5) . .
O2 Cd1 N1 C9 28.3(5) 2_776 .
O3 Cd1 N1 C9 -106.3(5) 2_676 .
C16 Cd1 N1 C9 171.2(4) . .
C10 Cd1 N1 C9 1.5(5) . .
C9 N1 C1 C2 -178.9(6) . .
Cd1 N1 C1 C2 10.2(9) . .
C9 N1 C1 C6 2.7(9) . .
Cd1 N1 C1 C6 -168.2(5) . .
N1 C1 C2 C3 179.7(7) . .
C6 C1 C2 C3 -1.8(10) . .
C1 C2 C3 C4 0.4(12) . .
C2 C3 C4 C5 0.7(13) . .
C3 C4 C5 C6 -0.3(14) . .
C4 C5 C6 C7 179.9(9) . .
C4 C5 C6 C1 -1.1(12) . .
N1 C1 C6 C5 -179.5(7) . .
C2 C1 C6 C5 2.1(10) . .
N1 C1 C6 C7 -0.4(10) . .
C2 C1 C6 C7 -178.8(7) . .
C5 C6 C7 C8 177.9(8) . .
C1 C6 C7 C8 -1.2(11) . .
C6 C7 C8 C9 0.3(11) . .
C1 N1 C9 C8 -3.7(9) . .
Cd1 N1 C9 C8 167.9(5) . .
C7 C8 C9 N1 2.2(11) . .
Cd1 O1 C10 O2 2.1(6) . 2_776
Cd1 O1 C10 C11 -175.2(4) . .
O1 Cd1 C10 O2 -178.0(5) . 2_776
N1 Cd1 C10 O2 81.9(3) . 2_776
O4 Cd1 C10 O2 -82.3(3) . 2_776
O3 Cd1 C10 O2 -110.6(4) . 2_776
O2 Cd1 C10 O2 -3.1(4) . 2_776
O3 Cd1 C10 O2 168.9(3) 2_676 2_776
C16 Cd1 C10 O2 -90.0(3) . 2_776
N1 Cd1 C10 O1 -100.1(3) . .
O4 Cd1 C10 O1 95.7(3) . .
O3 Cd1 C10 O1 67.4(4) . .
O2 Cd1 C10 O1 174.9(3) . .
O2 Cd1 C10 O1 178.0(5) 2_776 .
O3 Cd1 C10 O1 -13.1(3) 2_676 .
C16 Cd1 C10 O1 88.0(4) . .
O1 Cd1 C10 C11 28(2) . .
N1 Cd1 C10 C11 -72(2) . .
O4 Cd1 C10 C11 124(2) . .
O3 Cd1 C10 C11 96(2) . .
O2 Cd1 C10 C11 -157(2) . .
O2 Cd1 C10 C11 -154(3) 2_776 .
O3 Cd1 C10 C11 15(3) 2_676 .
C16 Cd1 C10 C11 116(2) . .
O2 C10 C11 C15 -7.1(8) 2_776 .
O1 C10 C11 C15 170.3(5) . .
Cd1 C10 C11 C15 144(2) . .
O2 C10 C11 C12 173.5(5) 2_776 .
O1 C10 C11 C12 -9.1(8) . .
Cd1 C10 C11 C12 -35(3) . .
C15 C11 C12 C13 -0.4(10) . .
C10 C11 C12 C13 179.0(6) . .
C11 C12 C13 C14 0.1(11) . .
C12 C13 C14 C14 0.2(11) . 2_765
C12 C13 C14 C15 -180.0(7) . 2_765
C12 C11 C15 C14 0.4(9) . 2_765
C10 C11 C15 C14 -179.0(5) . 2_765
Cd1 O4 C16 O3 6.2(5) . .
Cd1 O4 C16 C17 -172.7(5) . .
Cd1 O3 C16 O4 -6.1(5) . .
Cd1 O3 C16 O4 109.2(5) 2_676 .
Cd1 O3 C16 C17 172.8(5) . .
Cd1 O3 C16 C17 -71.9(6) 2_676 .
Cd1 O3 C16 Cd1 115.3(3) 2_676 .
O1 Cd1 C16 O4 47.8(4) . .
N1 Cd1 C16 O4 -151.0(3) . .
O3 Cd1 C16 O4 174.0(5) . .
O2 Cd1 C16 O4 -82.7(3) . .
O2 Cd1 C16 O4 -15.0(4) 2_776 .
O3 Cd1 C16 O4 127.7(3) 2_676 .
C10 Cd1 C16 O4 16.6(4) . .
O1 Cd1 C16 O3 -126.2(3) . .
N1 Cd1 C16 O3 35.0(4) . .
O4 Cd1 C16 O3 -174.0(5) . .
O2 Cd1 C16 O3 103.3(3) . .
O2 Cd1 C16 O3 171.0(3) 2_776 .
O3 Cd1 C16 O3 -46.3(4) 2_676 .
C10 Cd1 C16 O3 -157.4(3) . .
O1 Cd1 C16 C17 136(3) . .
N1 Cd1 C16 C17 -63(4) . .
O4 Cd1 C16 C17 88(4) . .
O3 Cd1 C16 C17 -98(4) . .
O2 Cd1 C16 C17 6(4) . .
O2 Cd1 C16 C17 73(4) 2_776 .
O3 Cd1 C16 C17 -144(4) 2_676 .
C10 Cd1 C16 C17 105(4) . .
O4 C16 C17 C20 173.5(5) . .
O3 C16 C17 C20 -5.5(8) . .
Cd1 C16 C17 C20 89(4) . .
O4 C16 C17 C18 -6.3(8) . .
O3 C16 C17 C18 174.8(5) . .
Cd1 C16 C17 C18 -91(4) . .
C20 C17 C18 C19 0.1(9) . .
C16 C17 C18 C19 179.9(6) . .
C17 C18 C19 C21 -0.3(9) . 2_677
C18 C17 C20 C21 0.3(8) . .
C16 C17 C20 C21 -179.4(5) . .
C17 C20 C21 C19 179.9(5) . 2_677
C17 C20 C21 C21 -0.6(10) . 2_677
