#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:06:30 +0300 (Fri, 05 May 2023) $
#$Revision: 283286 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/18/7711858.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_7711858
loop_
_publ_author_name
'Zhang, Shimin'
'Yu, Weiyu'
'Hao, Pengfei'
'Li, Gaopeng'
'Shen, Junju'
'Fu, Yunlong'
_publ_section_title
;
 The modulation effect of auxiliary ligands on photochromic properties of
 3D naphthalene diimide coordination polymers.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              360
_journal_page_last               365
_journal_paper_doi               10.1039/d2dt03480h
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C42 H24 Cd N6 O10'
_chemical_formula_sum            'C42 H24 Cd N6 O10'
_chemical_formula_weight         885.07
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-10-23
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2022-10-23 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.932(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.294(2)
_cell_length_b                   7.2986(6)
_cell_length_c                   15.2539(13)
_cell_measurement_reflns_used    6344
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.80
_cell_measurement_theta_min      2.54
_cell_volume                     3566.1(5)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0769
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25587
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.357
_diffrn_reflns_theta_min         2.862
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.687
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.846
_exptl_crystal_size_mid          0.246
_exptl_crystal_size_min          0.173
_refine_diff_density_max         1.331
_refine_diff_density_min         -0.585
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         4465
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0873
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0533P)²+1.1437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.1122
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3134
_reflns_number_total             4465
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03480h2.cif
_cod_data_source_block           aa
_cod_depositor_comments
'Adding full bibliography for 7711858--7711859.cif.'
_cod_database_code               7711858
_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_max   0.890
_shelx_estimated_absorpt_t_min   0.594
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C12(H12), C13(H13), C16(H16), C17(H17),
 C19(H19), C20(H20), C21(H21), N2(H2A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.000000 0.78157(5) 0.250000 0.03689(13) Uani 1 2 d S T P . .
C1 C -0.00869(11) 0.4156(5) 0.1296(3) 0.0506(9) Uani 1 1 d . . . . .
H1 H -0.034525 0.417838 0.136612 0.061 Uiso 1 1 calc R U . . .
C2 C -0.00021(12) 0.2731(5) 0.0816(3) 0.0547(10) Uani 1 1 d . . . . .
H2 H -0.019716 0.180629 0.056933 0.066 Uiso 1 1 calc R U . . .
C3 C 0.03764(11) 0.2689(5) 0.0703(3) 0.0485(9) Uani 1 1 d . . . . .
H3 H 0.044262 0.172281 0.038385 0.058 Uiso 1 1 calc R U . . .
C4 C 0.06575(9) 0.4079(5) 0.1063(2) 0.0378(7) Uani 1 1 d . . . . .
C5 C 0.05492(10) 0.5463(5) 0.1553(2) 0.0430(8) Uani 1 1 d . . . . .
H5 H 0.074163 0.639156 0.181145 0.052 Uiso 1 1 calc R U . . .
C6 C 0.10793(10) 0.4199(5) 0.0980(2) 0.0461(8) Uani 1 1 d . . . . .
C7 C 0.15462(10) 0.3437(5) -0.0592(2) 0.0453(8) Uani 1 1 d . . . . .
C8 C 0.19565(10) 0.3230(5) -0.0702(2) 0.0440(8) Uani 1 1 d . . . . .
C9 C 0.23056(10) 0.2592(4) 0.0057(2) 0.0415(8) Uani 1 1 d . . . . .
C10 C 0.22737(10) 0.2111(5) 0.0918(2) 0.0493(9) Uani 1 1 d . . . . .
C11 C 0.18637(11) 0.2179(6) 0.1041(3) 0.0551(10) Uani 1 1 d . . . . .
C12 C 0.26202(11) 0.1490(7) 0.1651(2) 0.0603(11) Uani 1 1 d . . . . .
H12 H 0.259601 0.117291 0.222008 0.072 Uiso 1 1 calc R U . . .
C13 C 0.19945(10) 0.3664(6) -0.1540(2) 0.0543(10) Uani 1 1 d . . . . .
H13 H 0.176227 0.406321 -0.203836 0.065 Uiso 1 1 calc R U . . .
C14 C -0.06965(9) 0.9729(4) 0.1662(2) 0.0407(8) Uani 1 1 d . . . . .
C15 C -0.11036(9) 1.0689(5) 0.1215(2) 0.0417(8) Uani 1 1 d . . . . .
C16 C -0.12368(10) 1.1258(5) 0.0295(2) 0.0499(9) Uani 1 1 d . . . . .
H16 H -0.105666 1.119125 -0.003708 0.060 Uiso 1 1 calc R U . . .
C17 C -0.16381(11) 1.1929(5) -0.0139(3) 0.0529(9) Uani 1 1 d . . . . .
H17 H -0.172355 1.233154 -0.075785 0.063 Uiso 1 1 calc R U . . .
C18 C -0.19122(11) 1.2005(5) 0.0339(3) 0.0486(9) Uani 1 1 d . . . . .
C19 C -0.17645(11) 1.1548(6) 0.1279(3) 0.0592(11) Uani 1 1 d . . . . .
H19 H -0.193857 1.168185 0.162259 0.071 Uiso 1 1 calc R U . . .
C20 C -0.13651(10) 1.0898(5) 0.1718(2) 0.0518(9) Uani 1 1 d . . . . .
H20 H -0.127149 1.060080 0.235246 0.062 Uiso 1 1 calc R U . . .
C21 C -0.23445(11) 1.2554(5) -0.0159(3) 0.0538(10) Uani 1 1 d . . . . .
H21 H -0.240739 1.302741 -0.075995 0.065 Uiso 1 1 calc R U . . .
N1 N 0.01807(8) 0.5532(4) 0.16730(18) 0.0411(6) Uani 1 1 d . . . . .
N2 N 0.11469(8) 0.2981(4) 0.0376(2) 0.0536(8) Uani 1 1 d . . . . .
H2A H 0.095223 0.224588 0.005523 0.064 Uiso 1 1 calc R U . . .
N3 N 0.15367(8) 0.2943(4) 0.0285(2) 0.0495(7) Uani 1 1 d . . . . .
O1 O -0.05252(6) 0.9006(3) 0.11372(15) 0.0432(6) Uani 1 1 d . . . . .
O2 O -0.05409(7) 0.9597(3) 0.25344(17) 0.0521(6) Uani 1 1 d . . . . .
O3 O 0.13433(7) 0.5300(4) 0.14280(18) 0.0646(8) Uani 1 1 d . . . . .
O4 O 0.18066(9) 0.1637(5) 0.1729(2) 0.0839(10) Uani 1 1 d . . . . .
O5 O 0.12335(7) 0.3954(4) -0.12096(17) 0.0593(7) 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'
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
_geom_angle_publ_flag
C14 Cd1 C14 116.82(13) 2 . ?
N1 Cd1 C14 119.12(10) . . ?
N1 Cd1 C14 119.12(10) 2 2 ?
N1 Cd1 C14 105.73(9) 2 . ?
N1 Cd1 C14 105.72(9) . 2 ?
N1 Cd1 N1 87.37(13) 2 . ?
N1 Cd1 O1 118.38(8) . 2 ?
N1 Cd1 O1 118.38(8) 2 . ?
N1 Cd1 O1 93.07(8) 2 2 ?
N1 Cd1 O1 93.07(8) . . ?
O1 Cd1 C14 119.81(9) 2 . ?
O1 Cd1 C14 28.34(8) 2 2 ?
O1 Cd1 C14 119.81(9) . 2 ?
O1 Cd1 C14 28.34(8) . . ?
O1 Cd1 O1 137.11(11) 2 . ?
O2 Cd1 C14 27.84(9) 2 2 ?
O2 Cd1 C14 106.69(9) 2 . ?
O2 Cd1 C14 106.69(9) . 2 ?
O2 Cd1 C14 27.84(9) . . ?
O2 Cd1 N1 143.58(9) . . ?
O2 Cd1 N1 91.13(9) 2 . ?
O2 Cd1 N1 91.13(9) . 2 ?
O2 Cd1 N1 143.57(9) 2 2 ?
O2 Cd1 O1 56.17(8) . . ?
O2 Cd1 O1 56.17(8) 2 2 ?
O2 Cd1 O1 98.05(8) 2 . ?
O2 Cd1 O1 98.05(8) . 2 ?
O2 Cd1 O2 110.51(13) . 2 ?
C2 C1 H1 118.1 . . ?
N1 C1 H1 118.1 . . ?
N1 C1 C2 123.8(3) . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.6(3) . . ?
C3 C2 H2 120.7 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(3) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 118.1(3) . . ?
C3 C4 C6 124.8(3) . . ?
C5 C4 C6 117.2(3) . . ?
C4 C5 H5 118.3 . . ?
N1 C5 C4 123.3(3) . . ?
N1 C5 H5 118.3 . . ?
N2 C6 C4 115.0(3) . . ?
O3 C6 C4 122.4(3) . . ?
O3 C6 N2 122.6(3) . . ?
N3 C7 C8 115.5(3) . . ?
O5 C7 C8 123.9(3) . . ?
O5 C7 N3 120.6(3) . . ?
C9 C8 C7 120.0(3) . . ?
C13 C8 C7 119.6(3) . . ?
C13 C8 C9 120.4(3) . . ?
C9 C9 C8 119.4(4) 7 . ?
C10 C9 C8 121.6(3) . . ?
C10 C9 C9 119.1(4) . 7 ?
C9 C10 C11 120.3(3) . . ?
C12 C10 C9 120.5(3) . . ?
C12 C10 C11 119.2(3) . . ?
N3 C11 C10 115.0(3) . . ?
O4 C11 C10 123.9(3) . . ?
O4 C11 N3 121.1(3) . . ?
C10 C12 H12 119.8 . . ?
C10 C12 C13 120.3(3) . 7 ?
C13 C12 H12 119.8 7 . ?
C8 C13 C12 120.4(3) . 7 ?
C8 C13 H13 119.8 . . ?
C12 C13 H13 119.8 7 . ?
C15 C14 Cd1 175.7(2) . . ?
O1 C14 Cd1 62.99(16) . . ?
O1 C14 C15 118.5(3) . . ?
O2 C14 Cd1 58.66(16) . . ?
O2 C14 C15 119.9(3) . . ?
O2 C14 O1 121.6(3) . . ?
C16 C15 C14 121.6(3) . . ?
C16 C15 C20 119.2(3) . . ?
C20 C15 C14 119.0(3) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(3) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.5(3) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C21 119.5(3) . . ?
C19 C18 C17 118.2(3) . . ?
C19 C18 C21 122.3(3) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.4(3) . . ?
C20 C19 H19 119.3 . . ?
C15 C20 H20 120.1 . . ?
C19 C20 C15 119.9(3) . . ?
C19 C20 H20 120.1 . . ?
C18 C21 H21 116.8 . . ?
C21 C21 C18 126.5(5) 7_475 . ?
C21 C21 H21 116.8 7_475 . ?
C1 N1 Cd1 119.9(2) . . ?
C5 N1 Cd1 123.6(2) . . ?
C5 N1 C1 116.5(3) . . ?
C6 N2 H2A 120.5 . . ?
C6 N2 N3 118.9(3) . . ?
N3 N2 H2A 120.5 . . ?
C7 N3 C11 127.1(3) . . ?
N2 N3 C7 116.2(3) . . ?
N2 N3 C11 116.0(3) . . ?
C14 O1 Cd1 88.67(19) . . ?
C14 O2 Cd1 93.50(19) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd1 C14 2.666(3) . ?
Cd1 C14 2.666(3) 2 ?
Cd1 N1 2.305(3) 2 ?
Cd1 N1 2.305(3) . ?
Cd1 O1 2.376(2) . ?
Cd1 O1 2.376(2) 2 ?
Cd1 O2 2.281(2) 2 ?
Cd1 O2 2.281(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.362(5) . ?
C1 N1 1.343(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.369(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.372(5) . ?
C4 C5 1.383(4) . ?
C4 C6 1.499(4) . ?
C5 H5 0.9300 . ?
C5 N1 1.341(4) . ?
C6 N2 1.358(4) . ?
C6 O3 1.221(4) . ?
C7 C8 1.483(4) . ?
C7 N3 1.397(4) . ?
C7 O5 1.207(4) . ?
C8 C9 1.415(5) . ?
C8 C13 1.367(5) . ?
C9 C9 1.412(6) 7 ?
C9 C10 1.401(5) . ?
C10 C11 1.484(4) . ?
C10 C12 1.385(5) . ?
C11 N3 1.406(5) . ?
C11 O4 1.201(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.396(4) 7 ?
C13 H13 0.9300 . ?
C14 C15 1.492(4) . ?
C14 O1 1.266(4) . ?
C14 O2 1.247(4) . ?
C15 C16 1.375(5) . ?
C15 C20 1.381(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.386(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.382(5) . ?
C18 C19 1.379(5) . ?
C18 C21 1.460(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(4) . ?
C20 H20 0.9300 . ?
C21 C21 1.323(8) 7_475 ?
C21 H21 0.9300 . ?
N2 H2A 0.8600 . ?
N2 N3 1.393(4) . ?
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
_geom_torsion_publ_flag
C1 C2 C3 C4 -0.7(6) . . . . ?
C2 C1 N1 Cd1 -178.4(3) . . . . ?
C2 C1 N1 C5 0.4(5) . . . . ?
C2 C3 C4 C5 1.6(5) . . . . ?
C2 C3 C4 C6 -179.5(3) . . . . ?
C3 C4 C5 N1 -1.6(5) . . . . ?
C3 C4 C6 N2 10.8(5) . . . . ?
C3 C4 C6 O3 -168.6(4) . . . . ?
C4 C5 N1 Cd1 179.4(2) . . . . ?
C4 C5 N1 C1 0.6(5) . . . . ?
C4 C6 N2 N3 -177.3(3) . . . . ?
C5 C4 C6 N2 -170.2(3) . . . . ?
C5 C4 C6 O3 10.4(5) . . . . ?
C6 C4 C5 N1 179.4(3) . . . . ?
C6 N2 N3 C7 -115.3(4) . . . . ?
C6 N2 N3 C11 73.0(4) . . . . ?
C7 C8 C9 C9 -179.8(4) . . . 7 ?
C7 C8 C9 C10 1.2(5) . . . . ?
C7 C8 C13 C12 178.8(4) . . . 7 ?
C8 C7 N3 C11 -4.1(5) . . . . ?
C8 C7 N3 N2 -174.8(3) . . . . ?
C8 C9 C10 C11 2.8(6) . . . . ?
C8 C9 C10 C12 180.0(4) . . . . ?
C9 C8 C13 C12 -1.0(6) . . . 7 ?
C9 C9 C10 C11 -176.2(4) 7 . . . ?
C9 C9 C10 C12 1.0(6) 7 . . . ?
C9 C10 C11 N3 -6.9(5) . . . . ?
C9 C10 C11 O4 173.3(4) . . . . ?
C9 C10 C12 C13 0.0(7) . . . 7 ?
C10 C11 N3 C7 7.9(6) . . . . ?
C10 C11 N3 N2 178.6(3) . . . . ?
C11 C10 C12 C13 177.2(4) . . . 7 ?
C12 C10 C11 N3 175.9(4) . . . . ?
C12 C10 C11 O4 -3.9(7) . . . . ?
C13 C8 C9 C9 0.0(6) . . . 7 ?
C13 C8 C9 C10 -179.0(4) . . . . ?
C14 C15 C16 C17 171.6(3) . . . . ?
C14 C15 C20 C19 -171.0(4) . . . . ?
C15 C14 O1 Cd1 -175.4(3) . . . . ?
C15 C14 O2 Cd1 175.3(3) . . . . ?
C15 C16 C17 C18 -1.2(6) . . . . ?
C16 C15 C20 C19 4.6(6) . . . . ?
C16 C17 C18 C19 5.6(6) . . . . ?
C16 C17 C18 C21 -174.3(4) . . . . ?
C17 C18 C19 C20 -4.9(6) . . . . ?
C17 C18 C21 C21 169.8(5) . . . 7_475 ?
C18 C19 C20 C15 -0.1(6) . . . . ?
C19 C18 C21 C21 -10.1(8) . . . 7_475 ?
C20 C15 C16 C17 -3.9(6) . . . . ?
C21 C18 C19 C20 174.9(4) . . . . ?
N1 C1 C2 C3 -0.3(6) . . . . ?
N3 C7 C8 C9 -0.8(5) . . . . ?
N3 C7 C8 C13 179.4(4) . . . . ?
O1 C14 C15 C16 -18.6(5) . . . . ?
O1 C14 C15 C20 156.8(3) . . . . ?
O1 C14 O2 Cd1 -2.0(3) . . . . ?
O2 C14 C15 C16 163.9(3) . . . . ?
O2 C14 C15 C20 -20.6(5) . . . . ?
O2 C14 O1 Cd1 1.9(3) . . . . ?
O3 C6 N2 N3 2.1(5) . . . . ?
O4 C11 N3 C7 -172.4(4) . . . . ?
O4 C11 N3 N2 -1.7(6) . . . . ?
O5 C7 C8 C9 -179.2(4) . . . . ?
O5 C7 C8 C13 0.9(6) . . . . ?
O5 C7 N3 C11 174.4(4) . . . . ?
O5 C7 N3 N2 3.7(5) . . . . ?
