#------------------------------------------------------------------------------
#$Date: 2023-05-31 12:30:28 +0300 (Wed, 31 May 2023) $
#$Revision: 284095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/72/8107278.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_8107278
loop_
_publ_author_name
'Guo, Xiao-Yu'
'Liu, Yun-Chao'
'Yin, Peng-Hui'
_publ_section_title
;
 Crystal structure of
 poly[dimethanol-κ1O-(µ2-(E)-2-((2-oxidobenzylidene)amino)acetato)-(µ3-(E)-2-((2-oxidobenzylidene)amino)acetato)dicadmium(II)],
 C20H22Cd2N2O8
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1009
_journal_page_last               1011
_journal_paper_doi               10.1515/ncrs-2022-0172
_journal_volume                  237
_journal_year                    2022
_chemical_formula_sum            'C20 H22 Cd2 N2 O8'
_chemical_formula_weight         643.19
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 103.59(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.131(3)
_cell_length_b                   8.2018(16)
_cell_length_c                   20.973(4)
_cell_measurement_reflns_used    6723
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8724
_cell_measurement_theta_min      1.9979
_cell_volume                     2195.5(8)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            22832
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.998
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.986
_exptl_absorpt_correction_T_max  0.6805
_exptl_absorpt_correction_T_min  0.6580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.864
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         4300
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0279P)²+2.3203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0596
_refine_ls_wR_factor_ref         0.0609
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4115
_reflns_number_total             4300
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2022-0172_suppl.cif
_cod_data_source_block           exp_I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' 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 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8107278
_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_min   0.658
_shelx_estimated_absorpt_t_max   0.680
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.38743(2) 0.59031(2) 0.43339(2) 0.02857(7) Uani 1 1 d D . . . .
Cd2 Cd 0.16756(2) 0.43739(3) 0.32271(2) 0.03002(7) Uani 1 1 d D . . . .
N1 N 0.49929(18) 0.7484(3) 0.39478(12) 0.0330(5) Uani 1 1 d . . . . .
N2 N -0.04881(19) 0.7942(3) 0.13776(12) 0.0396(6) Uani 1 1 d . . . . .
O1 O 0.31999(15) 0.5571(3) 0.32522(10) 0.0363(5) Uani 1 1 d . . . . .
O2 O 0.52666(15) 0.6562(2) 0.52312(10) 0.0340(5) Uani 1 1 d . . . . .
O3 O 0.62212(17) 0.8746(3) 0.55960(10) 0.0460(6) Uani 1 1 d . . . . .
O4 O 0.30615(18) 0.8295(3) 0.46241(13) 0.0490(6) Uani 1 1 d D . . . .
H4 H 0.3300(17) 0.9249(14) 0.4559(19) 0.073 Uiso 1 1 d D U . . .
O5 O -0.23809(15) 0.9677(2) 0.06770(9) 0.0312(4) Uani 1 1 d . . . . .
O6 O 0.08170(19) 0.6789(3) 0.30385(11) 0.0543(7) Uani 1 1 d . . . . .
O7 O -0.05741(17) 0.8317(3) 0.26685(10) 0.0433(5) Uani 1 1 d . . . . .
O8 O 0.2723(2) 0.2003(3) 0.31689(12) 0.0571(7) Uani 1 1 d D . . . .
H8 H 0.323(2) 0.185(3) 0.3503(12) 0.086 Uiso 1 1 d D U . . .
C1 C 0.5737(2) 0.7865(3) 0.51453(15) 0.0332(6) Uani 1 1 d . . . . .
C2 C 0.5721(2) 0.8410(4) 0.44522(15) 0.0372(7) Uani 1 1 d . . . . .
H2A H 0.553056 0.955407 0.440740 0.045 Uiso 1 1 calc R U . . .
H2B H 0.642100 0.830372 0.437985 0.045 Uiso 1 1 calc R U . . .
C3 C 0.5086(2) 0.7631(4) 0.33604(15) 0.0370(7) Uani 1 1 d . . . . .
H3 H 0.565983 0.823353 0.330660 0.044 Uiso 1 1 calc R U . . .
C4 C 0.4421(2) 0.6990(4) 0.27669(14) 0.0338(6) Uani 1 1 d . . . . .
C5 C 0.4701(3) 0.7433(4) 0.21797(16) 0.0453(8) Uani 1 1 d . . . . .
H5 H 0.531445 0.802034 0.220449 0.054 Uiso 1 1 calc R U . . .
C6 C 0.4097(3) 0.7024(4) 0.15751(16) 0.0503(9) Uani 1 1 d . . . . .
H6 H 0.429079 0.734437 0.119491 0.060 Uiso 1 1 calc R U . . .
C7 C 0.3196(3) 0.6130(4) 0.15405(15) 0.0433(8) Uani 1 1 d . . . . .
H7 H 0.277405 0.586051 0.113261 0.052 Uiso 1 1 calc R U . . .
C8 C 0.2913(2) 0.5630(4) 0.21016(14) 0.0359(7) Uani 1 1 d . . . . .
H8A H 0.231257 0.500033 0.206444 0.043 Uiso 1 1 calc R U . . .
C9 C 0.3506(2) 0.6048(3) 0.27284(14) 0.0302(6) Uani 1 1 d . . . . .
C10 C 0.0164(2) 0.7458(4) 0.25817(15) 0.0384(7) Uani 1 1 d . . . . .
C11 C 0.0324(3) 0.7200(5) 0.18993(17) 0.0530(9) Uani 1 1 d . . . . .
H11A H 0.099886 0.764928 0.187881 0.064 Uiso 1 1 calc R U . . .
H11B H 0.034393 0.603764 0.181760 0.064 Uiso 1 1 calc R U . . .
C12 C -0.0426(3) 0.7739(5) 0.07951(16) 0.0487(9) Uani 1 1 d . . . . .
H12 H 0.013751 0.711370 0.073912 0.058 Uiso 1 1 calc R U . . .
C13 C -0.1117(2) 0.8352(4) 0.01933(15) 0.0431(8) Uani 1 1 d . . . . .
C14 C -0.0835(3) 0.7953(6) -0.03923(19) 0.0695(13) Uani 1 1 d . . . . .
H14 H -0.024489 0.730957 -0.036936 0.083 Uiso 1 1 calc R U . . .
C15 C -0.1388(4) 0.8465(6) -0.09967(18) 0.0750(14) Uani 1 1 d . . . . .
H15 H -0.117695 0.818192 -0.137561 0.090 Uiso 1 1 calc R U . . .
C16 C -0.2267(3) 0.9413(5) -0.10260(17) 0.0573(10) Uani 1 1 d . . . . .
H16 H -0.265132 0.978521 -0.143013 0.069 Uiso 1 1 calc R U . . .
C17 C -0.2580(3) 0.9813(4) -0.04664(15) 0.0426(7) Uani 1 1 d . . . . .
H17 H -0.317649 1.045049 -0.050170 0.051 Uiso 1 1 calc R U . . .
C18 C -0.2032(2) 0.9295(3) 0.01570(14) 0.0301(6) Uani 1 1 d . . . . .
C19 C 0.1956(3) 0.8534(5) 0.4556(2) 0.0612(10) Uani 1 1 d D . . . .
H19A H 0.158636 0.823275 0.412040 0.092 Uiso 1 1 calc R U . . .
H19B H 0.182318 0.966020 0.463099 0.092 Uiso 1 1 calc R U . . .
H19C H 0.172148 0.786904 0.486948 0.092 Uiso 1 1 calc R U . . .
C20 C 0.2450(4) 0.0473(5) 0.2900(2) 0.0841(16) Uani 1 1 d D . . . .
H20A H 0.306548 -0.019632 0.296140 0.126 Uiso 1 1 calc R U . . .
H20B H 0.195682 -0.002453 0.311291 0.126 Uiso 1 1 calc R U . . .
H20C H 0.213940 0.058096 0.243955 0.126 Uiso 1 1 calc R U . . .
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
O5 Cd1 N1 156.42(8) 2_545 .
O5 Cd1 O1 78.20(7) 2_545 .
N1 Cd1 O1 80.92(8) . .
O5 Cd1 O2 129.46(7) 2_545 .
N1 Cd1 O2 72.87(8) . .
O1 Cd1 O2 151.67(7) . .
O5 Cd1 O4 85.82(8) 2_545 .
N1 Cd1 O4 89.26(8) . .
O1 Cd1 O4 105.28(9) . .
O2 Cd1 O4 85.24(8) . .
O5 Cd1 O2 87.54(7) 2_545 3_666
N1 Cd1 O2 109.61(8) . 3_666
O1 Cd1 O2 108.74(8) . 3_666
O2 Cd1 O2 71.43(8) . 3_666
O4 Cd1 O2 143.13(8) . 3_666
O1 Cd2 O7 126.00(8) . 2_545
O1 Cd2 N2 156.60(8) . 2_545
O7 Cd2 N2 75.11(9) 2_545 2_545
O1 Cd2 O6 91.51(9) . .
O7 Cd2 O6 89.72(9) 2_545 .
N2 Cd2 O6 99.22(10) 2_545 .
O1 Cd2 O5 77.14(7) . 2_545
O7 Cd2 O5 155.44(7) 2_545 2_545
N2 Cd2 O5 80.73(8) 2_545 2_545
O6 Cd2 O5 98.51(8) . 2_545
O1 Cd2 O8 80.52(9) . .
O7 Cd2 O8 84.81(9) 2_545 .
N2 Cd2 O8 92.91(10) 2_545 .
O6 Cd2 O8 164.96(10) . .
O5 Cd2 O8 92.16(8) 2_545 .
C3 N1 C2 117.1(2) . .
C3 N1 Cd1 128.6(2) . .
C2 N1 Cd1 114.26(18) . .
C12 N2 C11 117.9(3) . .
C12 N2 Cd2 129.4(2) . 2
C11 N2 Cd2 112.6(2) . 2
C9 O1 Cd2 124.27(18) . .
C9 O1 Cd1 132.95(18) . .
Cd2 O1 Cd1 102.50(8) . .
C1 O2 Cd1 113.09(17) . .
C1 O2 Cd1 124.40(17) . 3_666
Cd1 O2 Cd1 108.57(8) . 3_666
C19 O4 Cd1 126.1(2) . .
C19 O4 H4 104.8(14) . .
Cd1 O4 H4 120.3(14) . .
C18 O5 Cd1 125.68(17) . 2
C18 O5 Cd2 132.15(17) . 2
Cd1 O5 Cd2 102.15(8) 2 2
C10 O6 Cd2 137.7(2) . .
C10 O7 Cd2 117.65(19) . 2
C20 O8 Cd2 131.0(3) . .
C20 O8 H8 106.1(14) . .
Cd2 O8 H8 115.1(14) . .
O3 C1 O2 124.2(3) . .
O3 C1 C2 116.7(3) . .
O2 C1 C2 119.1(3) . .
N1 C2 C1 113.6(2) . .
N1 C2 H2A 108.8 . .
C1 C2 H2A 108.8 . .
N1 C2 H2B 108.8 . .
C1 C2 H2B 108.8 . .
H2A C2 H2B 107.7 . .
N1 C3 C4 128.7(3) . .
N1 C3 H3 115.7 . .
C4 C3 H3 115.7 . .
C5 C4 C9 118.8(3) . .
C5 C4 C3 115.5(3) . .
C9 C4 C3 125.6(3) . .
C6 C5 C4 122.1(3) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C5 C6 C7 118.8(3) . .
C5 C6 H6 120.6 . .
C7 C6 H6 120.6 . .
C6 C7 C8 120.9(3) . .
C6 C7 H7 119.5 . .
C8 C7 H7 119.5 . .
C7 C8 C9 121.7(3) . .
C7 C8 H8A 119.2 . .
C9 C8 H8A 119.2 . .
O1 C9 C8 119.9(3) . .
O1 C9 C4 122.5(3) . .
C8 C9 C4 117.6(3) . .
O7 C10 O6 123.5(3) . .
O7 C10 C11 120.3(3) . .
O6 C10 C11 116.2(3) . .
N2 C11 C10 114.2(3) . .
N2 C11 H11A 108.7 . .
C10 C11 H11A 108.7 . .
N2 C11 H11B 108.7 . .
C10 C11 H11B 108.7 . .
H11A C11 H11B 107.6 . .
N2 C12 C13 128.8(3) . .
N2 C12 H12 115.6 . .
C13 C12 H12 115.6 . .
C14 C13 C18 118.4(3) . .
C14 C13 C12 116.0(3) . .
C18 C13 C12 125.6(3) . .
C15 C14 C13 123.2(4) . .
C15 C14 H14 118.4 . .
C13 C14 H14 118.4 . .
C14 C15 C16 117.9(3) . .
C14 C15 H15 121.0 . .
C16 C15 H15 121.0 . .
C17 C16 C15 120.8(3) . .
C17 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C16 C17 C18 122.3(3) . .
C16 C17 H17 118.8 . .
C18 C17 H17 118.8 . .
O5 C18 C17 119.9(3) . .
O5 C18 C13 122.8(3) . .
C17 C18 C13 117.3(3) . .
O4 C19 H19A 109.5 . .
O4 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
O4 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O8 C20 H20A 109.5 . .
O8 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
O8 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O5 2.1990(19) 2_545
Cd1 N1 2.248(2) .
Cd1 O1 2.250(2) .
Cd1 O2 2.358(2) .
Cd1 O4 2.380(2) .
Cd1 O2 2.390(2) 3_666
Cd2 O1 2.219(2) .
Cd2 O7 2.257(2) 2_545
Cd2 N2 2.260(3) 2_545
Cd2 O6 2.267(2) .
Cd2 O5 2.281(2) 2_545
Cd2 O8 2.402(2) .
N1 C3 1.272(4) .
N1 C2 1.461(4) .
N2 C12 1.254(4) .
N2 C11 1.468(4) .
O1 C9 1.315(3) .
O2 C1 1.268(3) .
O3 C1 1.240(3) .
O4 C19 1.438(4) .
O4 H4 0.866(9) .
O5 C18 1.316(3) .
O6 C10 1.252(4) .
O7 C10 1.246(4) .
O8 C20 1.388(5) .
O8 H8 0.858(9) .
C1 C2 1.516(4) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.442(4) .
C3 H3 0.9300 .
C4 C5 1.413(4) .
C4 C9 1.414(4) .
C5 C6 1.370(5) .
C5 H5 0.9300 .
C6 C7 1.379(5) .
C6 H6 0.9300 .
C7 C8 1.377(4) .
C7 H7 0.9300 .
C8 C9 1.404(4) .
C8 H8A 0.9300 .
C10 C11 1.509(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.460(4) .
C12 H12 0.9300 .
C13 C14 1.402(5) .
C13 C18 1.416(4) .
C14 C15 1.370(6) .
C14 H14 0.9300 .
C15 C16 1.382(5) .
C15 H15 0.9300 .
C16 C17 1.371(5) .
C16 H16 0.9300 .
C17 C18 1.402(4) .
C17 H17 0.9300 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
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
_geom_hbond_publ_flag
O4 H4 O3 0.866(9) 1.817(10) 2.682(3) 179(4) 3_676 yes
O8 H8 O3 0.858(9) 1.92(2) 2.706(3) 152(4) 3_666 yes
C11 H11B O7 0.97 2.47 3.306(5) 144.9 2_545 yes
C19 H19A O6 0.96 2.55 3.489(5) 166.5 . 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Cd1 O2 C1 O3 154.1(2) . . . .
Cd1 O2 C1 O3 -70.6(4) 3_666 . . .
Cd1 O2 C1 C2 -26.0(3) . . . .
Cd1 O2 C1 C2 109.4(3) 3_666 . . .
C3 N1 C2 C1 -166.0(3) . . . .
Cd1 N1 C2 C1 12.2(3) . . . .
O3 C1 C2 N1 -169.9(3) . . . .
O2 C1 C2 N1 10.1(4) . . . .
C2 N1 C3 C4 -173.6(3) . . . .
Cd1 N1 C3 C4 8.5(5) . . . .
N1 C3 C4 C5 176.9(3) . . . .
N1 C3 C4 C9 0.2(5) . . . .
C9 C4 C5 C6 2.2(5) . . . .
C3 C4 C5 C6 -174.7(3) . . . .
C4 C5 C6 C7 -1.0(5) . . . .
C5 C6 C7 C8 -1.0(5) . . . .
C6 C7 C8 C9 1.9(5) . . . .
Cd2 O1 C9 C8 -7.8(4) . . . .
Cd1 O1 C9 C8 179.31(19) . . . .
Cd2 O1 C9 C4 171.7(2) . . . .
Cd1 O1 C9 C4 -1.1(4) . . . .
C7 C8 C9 O1 178.8(3) . . . .
C7 C8 C9 C4 -0.8(4) . . . .
C5 C4 C9 O1 179.2(3) . . . .
C3 C4 C9 O1 -4.2(5) . . . .
C5 C4 C9 C8 -1.2(4) . . . .
C3 C4 C9 C8 175.3(3) . . . .
Cd2 O7 C10 O6 -179.0(2) 2 . . .
Cd2 O7 C10 C11 2.2(4) 2 . . .
Cd2 O6 C10 O7 140.4(3) . . . .
Cd2 O6 C10 C11 -40.8(5) . . . .
C12 N2 C11 C10 -178.0(3) . . . .
Cd2 N2 C11 C10 3.5(4) 2 . . .
O7 C10 C11 N2 -3.9(5) . . . .
O6 C10 C11 N2 177.2(3) . . . .
C11 N2 C12 C13 -179.4(4) . . . .
Cd2 N2 C12 C13 -1.1(6) 2 . . .
N2 C12 C13 C14 178.7(4) . . . .
N2 C12 C13 C18 -1.5(7) . . . .
C18 C13 C14 C15 1.7(7) . . . .
C12 C13 C14 C15 -178.5(5) . . . .
C13 C14 C15 C16 -0.3(8) . . . .
C14 C15 C16 C17 -0.6(7) . . . .
C15 C16 C17 C18 0.2(6) . . . .
Cd1 O5 C18 C17 6.3(4) 2 . . .
Cd2 O5 C18 C17 -171.9(2) 2 . . .
Cd1 O5 C18 C13 -173.1(2) 2 . . .
Cd2 O5 C18 C13 8.8(4) 2 . . .
C16 C17 C18 O5 -178.2(3) . . . .
C16 C17 C18 C13 1.1(5) . . . .
C14 C13 C18 O5 177.3(3) . . . .
C12 C13 C18 O5 -2.5(5) . . . .
C14 C13 C18 C17 -2.0(5) . . . .
C12 C13 C18 C17 178.2(3) . . . .
