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#$Date: 2019-10-18 06:16:30 +0300 (Fri, 18 Oct 2019) $
#$Revision: 219411 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/46/7234698.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_7234698
loop_
_publ_author_name
'Liu, Jinjian'
'Li, Jing'
'Lu, Wenbo'
_publ_section_title
;
 Photochromic properties of three 2D MOFs based on
 1-carboxyethyl-4,4′-bipyridinine
;
_journal_issue                   57
_journal_name_full               'RSC Advances'
_journal_page_first              33155
_journal_paper_doi               10.1039/C9RA06703E
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C21.5 H24.5 Cd N2.5 O10'
_chemical_formula_weight         590.33
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-06-14 deposited with the CCDC.    2019-10-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.510(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.624(9)
_cell_length_b                   16.457(13)
_cell_length_c                   14.415(11)
_cell_measurement_reflns_used    6774
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.45
_cell_measurement_theta_min      2.39
_cell_volume                     2361(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32812
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         3.213
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_max  0.7564
_exptl_absorpt_correction_T_min  0.6939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_description       block
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       0.0272(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4544
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0252
_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)+(0.0250P)²+1.7377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0643
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4317
_reflns_number_total             4544
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ra06703e2.cif
_cod_data_source_block           a_CCDC2
_cod_original_formula_sum        'C21.50 H24.50 Cd N2.50 O10'
_cod_database_code               7234698
_shelx_shelxl_version_number     2018/3
_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   0.694
_shelx_estimated_absorpt_t_max   0.756
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 0.69812(2) 0.35574(2) 0.71605(2) 0.03535(9) Uani 1 1 d . U . . .
N1 N 0.61290(18) 0.36426(11) 0.41056(14) 0.0381(4) Uani 1 1 d . . . . .
N2 N 1.14891(18) 0.57235(12) 0.33214(14) 0.0398(4) Uani 1 1 d . . . . .
N3 N 1.0123(4) 0.3993(3) 1.0059(3) 0.0498(10) Uani 0.5 1 d D . P A -1
O1 O 0.52402(16) 0.38916(10) 0.56747(12) 0.0436(4) Uani 1 1 d . . . . .
O2 O 0.3434(2) 0.31056(17) 0.49985(16) 0.0785(7) Uani 1 1 d . . . . .
O3 O 0.63285(17) 0.48266(11) 0.77967(13) 0.0501(4) Uani 1 1 d . U . . .
O4 O 0.5681(2) 0.36465(11) 0.81937(16) 0.0606(5) Uani 1 1 d . U . . .
O5 O 0.38171(19) 0.72940(10) 0.80217(14) 0.0532(4) Uani 1 1 d . . . . .
O6 O 0.2392(2) 0.73118(12) 0.88117(17) 0.0661(5) Uani 1 1 d . . . . .
O7 O 0.8904(3) 0.33151(15) 0.85894(18) 0.0889(8) Uani 1 1 d D U . . .
H7C H 0.926340 0.356740 0.913294 0.107 Uiso 0.5 1 d R U P B -2
H7D H 0.952330 0.307760 0.844694 0.107 Uiso 0.5 1 d R U P B -2
O8 O 0.3193(2) 0.20972(14) 0.18739(18) 0.0755(6) Uani 1 1 d . . . . .
H8C H 0.322464 0.204952 0.129538 0.091 Uiso 1 1 d R U . . .
H8D H 0.390174 0.188803 0.228318 0.091 Uiso 1 1 d R U . . .
O9 O 0.1461(3) 0.2504(2) 0.8270(3) 0.1193(11) Uani 1 1 d . . . . .
H9C H 0.202200 0.231852 0.880592 0.143 Uiso 1 1 d R U . . .
H9D H 0.188250 0.261852 0.788272 0.143 Uiso 1 1 d R U . . .
O10 O 1.2189(5) 0.3661(3) 1.1766(5) 0.1014(19) Uani 0.5 1 d . . P C -2
H10C H 1.264414 0.408742 1.199221 0.122 Uiso 0.5 1 d R U P C -2
H10D H 1.174129 0.352470 1.212821 0.122 Uiso 0.5 1 d R U P C -2
O11 O 0.9674(5) 0.3115(3) 1.0450(3) 0.0749(13) Uani 0.5 1 d . . P D -2
H11C H 1.039789 0.327490 1.089042 0.090 Uiso 0.5 1 d R U P D -2
H11D H 0.911048 0.300010 1.072762 0.090 Uiso 0.5 1 d R U P D -2
C1 C 0.4514(2) 0.34216(15) 0.50254(18) 0.0434(5) Uani 1 1 d . . . . .
C2 C 0.4923(2) 0.32077(16) 0.41363(19) 0.0479(6) Uani 1 1 d . . . . .
H2A H 0.508959 0.262780 0.414525 0.058 Uiso 1 1 calc R U . . .
H2B H 0.417537 0.332845 0.353373 0.058 Uiso 1 1 calc R U . . .
C3 C 0.7199(2) 0.32229(14) 0.40787(18) 0.0445(5) Uani 1 1 d . . . . .
H3 H 0.720815 0.265954 0.413179 0.053 Uiso 1 1 calc R U . . .
C4 C 0.8283(2) 0.36194(14) 0.3973(2) 0.0446(5) Uani 1 1 d . . . . .
H4 H 0.902011 0.332118 0.396045 0.054 Uiso 1 1 calc R U . . .
C5 C 0.8285(2) 0.44596(13) 0.38849(15) 0.0352(4) Uani 1 1 d . . . . .
C6 C 0.7176(2) 0.48803(14) 0.39576(17) 0.0421(5) Uani 1 1 d . . . . .
H6 H 0.715833 0.544514 0.393663 0.051 Uiso 1 1 calc R U . . .
C7 C 0.6118(2) 0.44611(14) 0.40595(17) 0.0429(5) Uani 1 1 d . . . . .
H7 H 0.538113 0.474530 0.409738 0.052 Uiso 1 1 calc R U . . .
C8 C 1.1511(3) 0.49248(16) 0.3435(2) 0.0568(7) Uani 1 1 d . . . . .
H8 H 1.224186 0.463875 0.338981 0.068 Uiso 1 1 calc R U . . .
C9AA C 1.0508(3) 0.44931(16) 0.3619(2) 0.0597(7) Uani 1 1 d . . . . .
H9AA H 1.057117 0.393119 0.368766 0.072 Uiso 1 1 calc R U . . .
C10 C 0.9405(2) 0.48982(13) 0.36992(15) 0.0353(4) Uani 1 1 d . . . . .
C11 C 0.9387(3) 0.57325(15) 0.3583(2) 0.0566(7) Uani 1 1 d . . . . .
H11 H 0.866980 0.603476 0.362557 0.068 Uiso 1 1 calc R U . . .
C12 C 1.0432(3) 0.61164(15) 0.3402(3) 0.0596(7) Uani 1 1 d . . . . .
H12 H 1.039858 0.667872 0.333352 0.071 Uiso 1 1 calc R U . . .
C13 C 0.5626(2) 0.44137(14) 0.81671(17) 0.0422(5) Uani 1 1 d . . . . .
C14 C 0.3180(2) 0.69549(13) 0.85128(15) 0.0383(5) Uani 1 1 d . . . . .
C15 C 0.4626(2) 0.48295(13) 0.85351(15) 0.0377(5) Uani 1 1 d . . . . .
C16 C 0.4437(2) 0.56682(13) 0.84310(15) 0.0350(4) Uani 1 1 d . . . . .
H16 H 0.497842 0.597515 0.817879 0.042 Uiso 1 1 calc R U . . .
C17 C 0.3447(2) 0.60509(13) 0.87006(16) 0.0376(5) Uani 1 1 d . . . . .
C18 C 0.2654(3) 0.55843(16) 0.9092(2) 0.0530(6) Uani 1 1 d . . . . .
H18 H 0.199544 0.583375 0.927997 0.064 Uiso 1 1 calc R U . . .
C19 C 0.2844(3) 0.47527(17) 0.9202(2) 0.0607(7) Uani 1 1 d . . . . .
H19 H 0.231486 0.444655 0.946606 0.073 Uiso 1 1 calc R U . . .
C20 C 0.3817(3) 0.43753(15) 0.89208(19) 0.0495(6) Uani 1 1 d . . . . .
H20 H 0.393207 0.381558 0.898950 0.059 Uiso 1 1 calc R U . . .
C21 C 0.9204(4) 0.3979(3) 0.9158(3) 0.0437(10) Uani 0.5 1 d D U P A -1
H21 H 0.874212 0.445697 0.890813 0.052 Uiso 0.5 1 calc R U P A -1
C22 C 1.0640(10) 0.3224(5) 1.0557(6) 0.104(3) Uani 0.5 1 d D . P A -1
H22A H 1.129439 0.333288 1.119924 0.155 Uiso 0.5 1 calc R U P A -1
H22B H 0.991311 0.291499 1.062817 0.155 Uiso 0.5 1 calc R U P A -1
H22C H 1.105137 0.292119 1.017025 0.155 Uiso 0.5 1 calc R U P A -1
C23 C 1.0583(6) 0.4752(5) 1.0592(5) 0.0757(19) Uani 0.5 1 d D . P A -1
H23A H 1.124661 0.463660 1.122879 0.114 Uiso 0.5 1 calc R U P A -1
H23B H 1.096983 0.509090 1.022075 0.114 Uiso 0.5 1 calc R U P A -1
H23C H 0.983520 0.502739 1.067876 0.114 Uiso 0.5 1 calc R U P A -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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O5 Cd1 N2 136.35(7) 2_646 3_766
O5 Cd1 O1 88.02(7) 2_646 .
N2 Cd1 O1 91.03(8) 3_766 .
O5 Cd1 O4 81.35(7) 2_646 .
N2 Cd1 O4 141.92(7) 3_766 .
O1 Cd1 O4 96.46(10) . .
O5 Cd1 O7 97.01(8) 2_646 .
N2 Cd1 O7 82.21(10) 3_766 .
O1 Cd1 O7 173.24(8) . .
O4 Cd1 O7 88.79(12) . .
O5 Cd1 O3 133.40(7) 2_646 .
N2 Cd1 O3 89.83(8) 3_766 .
O1 Cd1 O3 84.67(7) . .
O4 Cd1 O3 54.06(6) . .
O7 Cd1 O3 95.05(9) . .
C3 N1 C7 120.4(2) . .
C3 N1 C2 120.2(2) . .
C7 N1 C2 119.4(2) . .
C8 N2 C12 116.6(2) . .
C8 N2 Cd1 124.30(16) . 3_766
C12 N2 Cd1 118.74(17) . 3_766
C21 N3 C23 121.9(5) . .
C21 N3 C22 119.2(5) . .
C23 N3 C22 118.8(5) . .
C1 O1 Cd1 128.25(16) . .
C13 O3 Cd1 89.21(14) . .
C13 O4 Cd1 94.22(15) . .
C14 O5 Cd1 102.79(15) . 2_656
C21 O7 Cd1 110.1(2) . .
Cd1 O7 H7C 133.7 . .
Cd1 O7 H7D 111.8 . .
H7C O7 H7D 108.2 . .
H8C O8 H8D 108.3 . .
H9C O9 H9D 108.3 . .
H10C O10 H10D 110.4 . .
H11C O11 H11D 108.6 . .
O2 C1 O1 126.9(2) . .
O2 C1 C2 113.9(2) . .
O1 C1 C2 119.1(2) . .
N1 C2 C1 114.57(19) . .
N1 C2 H2A 108.6 . .
C1 C2 H2A 108.6 . .
N1 C2 H2B 108.6 . .
C1 C2 H2B 108.6 . .
H2A C2 H2B 107.6 . .
N1 C3 C4 120.6(2) . .
N1 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C3 C4 C5 120.7(2) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C4 C5 C6 117.1(2) . .
C4 C5 C10 121.7(2) . .
C6 C5 C10 121.2(2) . .
C7 C6 C5 120.1(2) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
N1 C7 C6 121.0(2) . .
N1 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
N2 C8 C9AA 123.6(2) . .
N2 C8 H8 118.2 . .
C9AA C8 H8 118.2 . .
C8 C9AA C10 120.0(2) . .
C8 C9AA H9AA 120.0 . .
C10 C9AA H9AA 120.0 . .
C11 C10 C9AA 116.3(2) . .
C11 C10 C5 121.6(2) . .
C9AA C10 C5 122.1(2) . .
C12 C11 C10 120.0(2) . .
C12 C11 H11 120.0 . .
C10 C11 H11 120.0 . .
N2 C12 C11 123.5(2) . .
N2 C12 H12 118.3 . .
C11 C12 H12 118.3 . .
O3 C13 O4 121.7(2) . .
O3 C13 C15 120.0(2) . .
O4 C13 C15 118.2(2) . .
O6 C14 O5 123.6(2) . .
O6 C14 C17 121.1(2) . .
O5 C14 C17 115.3(2) . .
C20 C15 C16 119.2(2) . .
C20 C15 C13 120.4(2) . .
C16 C15 C13 120.2(2) . .
C17 C16 C15 120.8(2) . .
C17 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C16 C17 C18 119.0(2) . .
C16 C17 C14 120.32(19) . .
C18 C17 C14 120.6(2) . .
C19 C18 C17 120.4(2) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C20 C19 C18 120.3(2) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C19 C20 C15 120.3(2) . .
C19 C20 H20 119.8 . .
C15 C20 H20 119.8 . .
N3 C21 O7 123.5(4) . .
N3 C21 H21 118.3 . .
O7 C21 H21 118.3 . .
N3 C22 H22A 109.5 . .
N3 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N3 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N3 C23 H23A 109.5 . .
N3 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N3 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 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 2.226(2) 2_646
Cd1 N2 2.306(2) 3_766
Cd1 O1 2.353(2) .
Cd1 O4 2.364(2) .
Cd1 O7 2.372(3) .
Cd1 O3 2.476(2) .
N1 C3 1.342(3) .
N1 C7 1.349(3) .
N1 C2 1.482(3) .
N2 C8 1.324(3) .
N2 C12 1.336(3) .
N3 C21 1.323(5) .
N3 C23 1.458(8) .
N3 C22 1.463(6) .
O1 C1 1.251(3) .
O2 C1 1.248(3) .
O3 C13 1.258(3) .
O4 C13 1.264(3) .
O5 C14 1.267(3) .
O6 C14 1.219(3) .
O7 C21 1.336(5) .
O7 H7C 0.8499 .
O7 H7D 0.8500 .
O8 H8C 0.8500 .
O8 H8D 0.8501 .
O9 H9C 0.8501 .
O9 H9D 0.8500 .
O10 H10C 0.8500 .
O10 H10D 0.8500 .
O11 H11C 0.8500 .
O11 H11D 0.8500 .
C1 C2 1.531(4) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.378(3) .
C3 H3 0.9300 .
C4 C5 1.389(3) .
C4 H4 0.9300 .
C5 C6 1.402(3) .
C5 C10 1.493(3) .
C6 C7 1.370(3) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9AA 1.381(4) .
C8 H8 0.9300 .
C9AA C10 1.388(3) .
C9AA H9AA 0.9300 .
C10 C11 1.383(4) .
C11 C12 1.379(4) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C15 1.508(3) .
C14 C17 1.521(3) .
C15 C20 1.393(3) .
C15 C16 1.395(3) .
C16 C17 1.393(3) .
C16 H16 0.9300 .
C17 C18 1.397(3) .
C18 C19 1.384(4) .
C18 H18 0.9300 .
C19 C20 1.383(4) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
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
Cd1 O1 C1 O2 88.2(3) .
Cd1 O1 C1 C2 -93.7(3) .
C3 N1 C2 C1 122.7(2) .
C7 N1 C2 C1 -60.3(3) .
O2 C1 C2 N1 174.2(2) .
O1 C1 C2 N1 -4.2(3) .
C7 N1 C3 C4 -2.0(3) .
C2 N1 C3 C4 175.0(2) .
N1 C3 C4 C5 -0.5(4) .
C3 C4 C5 C6 3.1(4) .
C3 C4 C5 C10 -175.7(2) .
C4 C5 C6 C7 -3.3(3) .
C10 C5 C6 C7 175.5(2) .
C3 N1 C7 C6 1.8(3) .
C2 N1 C7 C6 -175.2(2) .
C5 C6 C7 N1 0.9(3) .
C12 N2 C8 C9AA 0.7(4) .
Cd1 N2 C8 C9AA -172.6(2) 3_766
N2 C8 C9AA C10 -0.5(5) .
C8 C9AA C10 C11 0.3(4) .
C8 C9AA C10 C5 179.3(2) .
C4 C5 C10 C11 178.1(2) .
C6 C5 C10 C11 -0.6(3) .
C4 C5 C10 C9AA -0.9(3) .
C6 C5 C10 C9AA -179.6(2) .
C9AA C10 C11 C12 -0.3(4) .
C5 C10 C11 C12 -179.4(3) .
C8 N2 C12 C11 -0.8(4) .
Cd1 N2 C12 C11 172.9(2) 3_766
C10 C11 C12 N2 0.6(5) .
Cd1 O3 C13 O4 9.2(2) .
Cd1 O3 C13 C15 -166.88(18) .
Cd1 O4 C13 O3 -9.7(3) .
Cd1 O4 C13 C15 166.48(17) .
Cd1 O5 C14 O6 -3.0(3) 2_656
Cd1 O5 C14 C17 176.13(15) 2_656
O3 C13 C15 C20 178.2(2) .
O4 C13 C15 C20 1.9(3) .
O3 C13 C15 C16 2.5(3) .
O4 C13 C15 C16 -173.7(2) .
C20 C15 C16 C17 -0.5(3) .
C13 C15 C16 C17 175.22(19) .
C15 C16 C17 C18 0.9(3) .
C15 C16 C17 C14 -175.41(19) .
O6 C14 C17 C16 -174.3(2) .
O5 C14 C17 C16 6.5(3) .
O6 C14 C17 C18 9.4(3) .
O5 C14 C17 C18 -169.8(2) .
C16 C17 C18 C19 -0.5(4) .
C14 C17 C18 C19 175.8(3) .
C17 C18 C19 C20 -0.3(5) .
C18 C19 C20 C15 0.7(5) .
C16 C15 C20 C19 -0.3(4) .
C13 C15 C20 C19 -176.1(2) .
C23 N3 C21 O7 169.6(5) .
C22 N3 C21 O7 -13.9(9) .
Cd1 O7 C21 N3 171.4(4) .
