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#$Date: 2021-04-12 10:33:58 +0300 (Mon, 12 Apr 2021) $
#$Revision: 264047 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/16/1561647.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_1561647
loop_
_publ_author_name
'Ma, Ning'
'Guo, Wei-Ying'
'Song, Hui-Hua'
'Yu, Hai-Tao'
_publ_section_title
;
 Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor
 ligands: Structures and photoluminescent properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              381
_journal_page_last               389
_journal_paper_doi               10.1016/j.jssc.2015.11.010
_journal_volume                  233
_journal_year                    2016
_chemical_formula_moiety         'C22 H21 Cd N3 O6'
_chemical_formula_sum            'C22 H21 Cd N3 O6'
_chemical_formula_weight         535.82
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                115.641(7)
_cell_angle_beta                 97.561(4)
_cell_angle_gamma                91.879(5)
_cell_formula_units_Z            2
_cell_length_a                   9.3988(5)
_cell_length_b                   10.5884(8)
_cell_length_c                   11.6825(7)
_cell_measurement_reflns_used    2850
_cell_measurement_temperature    100.02(10)
_cell_measurement_theta_max      27.9810
_cell_measurement_theta_min      3.4800
_cell_volume                     1033.77(13)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.02(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0793
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_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            6557
_diffrn_reflns_theta_full        25.12
_diffrn_reflns_theta_max         25.12
_diffrn_reflns_theta_min         3.02
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 1
_diffrn_standards_interval_time  3.0000
_diffrn_standards_number         7864
_exptl_absorpt_coefficient_mu    1.103
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34k (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,16:31:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.2700
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.0200
_refine_diff_density_max         1.255
_refine_diff_density_min         -0.574
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3678
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0262P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0778
_reflns_number_gt                3226
_reflns_number_total             3678
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-233-381.cif
_cod_data_source_block           exp_761
_cod_original_cell_volume        1033.77(11)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1561647
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4118(4) 0.8018(5) 0.0570(4) 0.0251(10) Uani 1 1 d . . .
H1 H 0.4788 0.7373 0.0502 0.030 Uiso 1 1 calc R . .
C2 C 0.3821(5) 0.8437(5) -0.0406(4) 0.0321(11) Uani 1 1 d . . .
H2 H 0.4277 0.8067 -0.1126 0.039 Uiso 1 1 calc R . .
C3 C 0.2835(4) 0.9415(5) -0.0290(4) 0.0264(10) Uani 1 1 d . . .
H3 H 0.2619 0.9693 -0.0942 0.032 Uiso 1 1 calc R . .
C4 C 0.2173(4) 0.9980(4) 0.0789(4) 0.0238(10) Uani 1 1 d . . .
H4 H 0.1524 1.0647 0.0867 0.029 Uiso 1 1 calc R . .
C5 C 0.2478(4) 0.9549(4) 0.1763(4) 0.0178(9) Uani 1 1 d . . .
H5 H 0.2039 0.9938 0.2492 0.021 Uiso 1 1 calc R . .
C6 C 0.3427(4) 0.8548(4) 0.1648(4) 0.0166(9) Uani 1 1 d . . .
C7 C 0.3685(4) 0.7912(4) 0.2580(4) 0.0148(9) Uani 1 1 d . . .
C8 C 0.3610(4) 0.8024(4) 0.4686(4) 0.0127(8) Uani 1 1 d . . .
H8 H 0.2879 0.7215 0.4352 0.015 Uiso 1 1 calc R . .
C9 C 0.5103(4) 0.7500(4) 0.4826(4) 0.0146(9) Uani 1 1 d . . .
C10 C 0.3367(4) 0.9050(4) 0.6042(4) 0.0149(9) Uani 1 1 d . . .
H10A H 0.3533 0.8585 0.6597 0.018 Uiso 1 1 calc R . .
H10B H 0.4086 0.9854 0.6370 0.018 Uiso 1 1 calc R . .
C11 C 0.1896(4) 0.9584(4) 0.6146(4) 0.0152(9) Uani 1 1 d . . .
H11A H 0.1716 1.0010 0.5560 0.018 Uiso 1 1 calc R . .
H11B H 0.1931 1.0326 0.7011 0.018 Uiso 1 1 calc R . .
C12 C 0.0607(4) 0.8519(4) 0.5867(4) 0.0155(9) Uani 1 1 d . . .
C13 C 0.7039(4) 0.6340(4) 0.7381(4) 0.0177(9) Uani 1 1 d . . .
H13 H 0.6148 0.6240 0.6882 0.021 Uiso 1 1 calc R . .
C14 C 0.7074(4) 0.6238(4) 0.8515(4) 0.0168(9) Uani 1 1 d . . .
H14 H 0.6216 0.6075 0.8768 0.020 Uiso 1 1 calc R . .
C15 C 0.8386(4) 0.6376(4) 0.9291(4) 0.0152(9) Uani 1 1 d . . .
C16 C 0.9626(4) 0.6593(4) 0.8842(4) 0.0171(9) Uani 1 1 d . . .
H16 H 1.0528 0.6667 0.9315 0.021 Uiso 1 1 calc R . .
C17 C 0.9524(4) 0.6697(4) 0.7700(4) 0.0178(9) Uani 1 1 d . . .
H17 H 1.0368 0.6855 0.7425 0.021 Uiso 1 1 calc R . .
C18 C 0.9510(4) 0.7001(4) 1.2733(4) 0.0197(9) Uani 1 1 d . . .
H18 H 1.0285 0.7463 1.3391 0.024 Uiso 1 1 calc R . .
C19 C 0.9561(4) 0.7000(4) 1.1557(4) 0.0180(9) Uani 1 1 d . . .
H19 H 1.0353 0.7457 1.1441 0.022 Uiso 1 1 calc R . .
C20 C 0.8422(4) 0.6312(4) 1.0541(4) 0.0145(9) Uani 1 1 d . . .
C21 C 0.7311(4) 0.5614(4) 1.0790(4) 0.0211(10) Uani 1 1 d . . .
H21 H 0.6544 0.5103 1.0138 0.025 Uiso 1 1 calc R . .
C22 C 0.7337(4) 0.5674(4) 1.1991(4) 0.0200(9) Uani 1 1 d . . .
H22 H 0.6572 0.5205 1.2128 0.024 Uiso 1 1 calc R . .
Cd1 Cd 0.79811(3) 0.68122(3) 0.50503(3) 0.01338(10) Uani 1 1 d . . .
N1 N 0.3464(3) 0.8676(3) 0.3806(3) 0.0131(7) Uani 1 1 d . . .
H1A H 0.3465 0.9594 0.4101 0.016 Uiso 1 1 d R . .
N2 N 0.8239(3) 0.6579(3) 0.6958(3) 0.0154(7) Uani 1 1 d . . .
N3 N 0.8413(3) 0.6378(3) 1.2979(3) 0.0138(7) Uani 1 1 d . . .
O1 O 0.6221(2) 0.8210(3) 0.4831(2) 0.0167(6) Uani 1 1 d . . .
O2 O 0.5154(3) 0.6426(3) 0.5017(3) 0.0191(6) Uani 1 1 d . . .
O3 O 0.4029(3) 0.6697(3) 0.2207(3) 0.0208(6) Uani 1 1 d . . .
O4 O -0.0619(2) 0.8979(3) 0.5927(2) 0.0171(6) Uani 1 1 d . . .
O5 O 0.0764(3) 0.7238(3) 0.5557(2) 0.0164(6) Uani 1 1 d . . .
O6 O 0.7216(3) 0.4391(3) 0.4075(2) 0.0170(6) Uani 1 1 d . . .
H6B H 0.7825 0.3907 0.4264 0.026 Uiso 1 1 d R . .
H6A H 0.6370 0.4280 0.4221 0.026 Uiso 1 1 d R . .
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
C2 C1 C6 121.2(4) . .
C2 C1 H1 119.4 . .
C6 C1 H1 119.4 . .
C3 C2 C1 119.1(4) . .
C3 C2 H2 120.5 . .
C1 C2 H2 120.5 . .
C4 C3 C2 120.4(4) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 120.0(4) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 120.3(4) . .
C6 C5 H5 119.8 . .
C4 C5 H5 119.8 . .
C5 C6 C1 118.9(4) . .
C5 C6 C7 123.4(4) . .
C1 C6 C7 117.6(4) . .
O3 C7 N1 121.3(3) . .
O3 C7 C6 120.1(4) . .
N1 C7 C6 118.5(4) . .
N1 C8 C10 111.7(3) . .
N1 C8 C9 113.0(3) . .
C10 C8 C9 107.3(3) . .
N1 C8 H8 108.2 . .
C10 C8 H8 108.2 . .
C9 C8 H8 108.2 . .
O2 C9 O1 123.0(3) . .
O2 C9 C8 117.2(3) . .
O1 C9 C8 119.7(3) . .
C11 C10 C8 116.1(3) . .
C11 C10 H10A 108.2 . .
C8 C10 H10A 108.2 . .
C11 C10 H10B 108.2 . .
C8 C10 H10B 108.2 . .
H10A C10 H10B 107.4 . .
C10 C11 C12 117.5(3) . .
C10 C11 H11A 107.9 . .
C12 C11 H11A 107.9 . .
C10 C11 H11B 107.9 . .
C12 C11 H11B 107.9 . .
H11A C11 H11B 107.2 . .
O5 C12 O4 122.1(3) . .
O5 C12 C11 121.3(3) . .
O4 C12 C11 116.6(3) . .
N2 C13 C14 122.9(3) . .
N2 C13 H13 118.5 . .
C14 C13 H13 118.5 . .
C13 C14 C15 120.4(4) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C16 C15 C14 116.7(3) . .
C16 C15 C20 122.9(3) . .
C14 C15 C20 120.5(3) . .
C17 C16 C15 120.3(3) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
N2 C17 C16 122.6(3) . .
N2 C17 H17 118.7 . .
C16 C17 H17 118.7 . .
N3 C18 C19 123.7(3) . .
N3 C18 H18 118.1 . .
C19 C18 H18 118.1 . .
C18 C19 C20 119.9(3) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
C21 C20 C19 115.9(3) . .
C21 C20 C15 122.6(3) . .
C19 C20 C15 121.5(3) . .
C22 C21 C20 120.5(3) . .
C22 C21 H21 119.7 . .
C20 C21 H21 119.7 . .
N3 C22 C21 123.3(4) . .
N3 C22 H22 118.4 . .
C21 C22 H22 118.4 . .
O1 Cd1 N2 115.50(10) . .
O1 Cd1 O4 80.62(9) . 1_655
N2 Cd1 O4 95.20(10) . 1_655
O1 Cd1 O6 114.34(9) . .
N2 Cd1 O6 84.42(10) . .
O4 Cd1 O6 163.66(9) 1_655 .
O1 Cd1 N3 87.80(10) . 1_554
N2 Cd1 N3 156.62(11) . 1_554
O4 Cd1 N3 90.43(10) 1_655 1_554
O6 Cd1 N3 83.90(10) . 1_554
O1 Cd1 O5 132.24(8) . 1_655
N2 Cd1 O5 83.31(9) . 1_655
O4 Cd1 O5 53.12(8) 1_655 1_655
O6 Cd1 O5 110.75(9) . 1_655
N3 Cd1 O5 82.00(9) 1_554 1_655
O1 Cd1 O2 52.21(8) . .
N2 Cd1 O2 85.17(9) . .
O4 Cd1 O2 126.10(9) 1_655 .
O6 Cd1 O2 70.20(8) . .
N3 Cd1 O2 109.63(9) 1_554 .
O5 Cd1 O2 168.27(8) 1_655 .
C7 N1 C8 118.6(3) . .
C7 N1 H1A 118.7 . .
C8 N1 H1A 120.7 . .
C13 N2 C17 117.1(3) . .
C13 N2 Cd1 118.5(2) . .
C17 N2 Cd1 124.5(2) . .
C18 N3 C22 116.5(3) . .
C18 N3 Cd1 124.8(2) . 1_556
C22 N3 Cd1 117.2(2) . 1_556
C9 O1 Cd1 100.2(2) . .
C9 O2 Cd1 84.4(2) . .
C12 O4 Cd1 97.8(2) . 1_455
C12 O5 Cd1 86.4(2) . 1_455
Cd1 O6 H6B 113.2 . .
Cd1 O6 H6A 108.6 . .
H6B O6 H6A 115.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.391(5) .
C1 C6 1.396(5) .
C1 H1 0.9300 .
C2 C3 1.387(6) .
C2 H2 0.9300 .
C3 C4 1.383(6) .
C3 H3 0.9300 .
C4 C5 1.399(5) .
C4 H4 0.9300 .
C5 C6 1.381(5) .
C5 H5 0.9300 .
C6 C7 1.508(5) .
C7 O3 1.236(5) .
C7 N1 1.355(5) .
C8 N1 1.461(4) .
C8 C10 1.537(5) .
C8 C9 1.540(5) .
C8 H8 0.9800 .
C9 O2 1.252(4) .
C9 O1 1.269(4) .
C10 C11 1.511(5) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.528(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 O5 1.263(4) .
C12 O4 1.264(4) .
C13 N2 1.347(5) .
C13 C14 1.372(5) .
C13 H13 0.9300 .
C14 C15 1.394(5) .
C14 H14 0.9300 .
C15 C16 1.390(5) .
C15 C20 1.486(5) .
C16 C17 1.378(5) .
C16 H16 0.9300 .
C17 N2 1.358(4) .
C17 H17 0.9300 .
C18 N3 1.334(5) .
C18 C19 1.381(5) .
C18 H18 0.9300 .
C19 C20 1.397(5) .
C19 H19 0.9300 .
C20 C21 1.392(5) .
C21 C22 1.374(5) .
C21 H21 0.9300 .
C22 N3 1.345(5) .
C22 H22 0.9300 .
Cd1 O1 2.318(2) .
Cd1 N2 2.330(3) .
Cd1 O4 2.336(3) 1_655
Cd1 O6 2.350(3) .
Cd1 N3 2.354(3) 1_554
Cd1 O5 2.584(2) 1_655
Cd1 O2 2.668(2) .
N1 H1A 0.8797 .
N3 Cd1 2.354(3) 1_556
O4 Cd1 2.336(3) 1_455
O5 Cd1 2.584(2) 1_455
O6 H6B 0.8500 .
O6 H6A 0.8500 .
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
O6 H6A O2 0.85 2.44 2.897(4) 114.4 .
O6 H6A O2 0.85 2.06 2.850(4) 154.5 2_666
O6 H6B O5 0.85 1.88 2.721(4) 171.7 2_666
N1 H1A O1 0.88 2.10 2.961(4) 166.8 2_676
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
C6 C1 C2 C3 0.9(6) . . . .
C1 C2 C3 C4 0.9(6) . . . .
C2 C3 C4 C5 -1.0(6) . . . .
C3 C4 C5 C6 -0.7(6) . . . .
C4 C5 C6 C1 2.5(5) . . . .
C4 C5 C6 C7 -173.0(3) . . . .
C2 C1 C6 C5 -2.6(6) . . . .
C2 C1 C6 C7 173.1(4) . . . .
C5 C6 C7 O3 150.2(4) . . . .
C1 C6 C7 O3 -25.4(5) . . . .
C5 C6 C7 N1 -26.7(5) . . . .
C1 C6 C7 N1 157.8(3) . . . .
N1 C8 C9 O2 -147.5(3) . . . .
C10 C8 C9 O2 89.0(4) . . . .
N1 C8 C9 O1 37.2(5) . . . .
C10 C8 C9 O1 -86.3(4) . . . .
N1 C8 C10 C11 61.5(4) . . . .
C9 C8 C10 C11 -174.2(3) . . . .
C8 C10 C11 C12 66.7(4) . . . .
C10 C11 C12 O5 -0.3(5) . . . .
C10 C11 C12 O4 -178.3(3) . . . .
N2 C13 C14 C15 -0.2(6) . . . .
C13 C14 C15 C16 -1.2(6) . . . .
C13 C14 C15 C20 178.0(4) . . . .
C14 C15 C16 C17 1.7(6) . . . .
C20 C15 C16 C17 -177.5(4) . . . .
C15 C16 C17 N2 -0.9(6) . . . .
N3 C18 C19 C20 -0.4(6) . . . .
C18 C19 C20 C21 -2.3(6) . . . .
C18 C19 C20 C15 175.4(4) . . . .
C16 C15 C20 C21 -156.0(4) . . . .
C14 C15 C20 C21 24.9(6) . . . .
C16 C15 C20 C19 26.5(6) . . . .
C14 C15 C20 C19 -152.6(4) . . . .
C19 C20 C21 C22 2.8(6) . . . .
C15 C20 C21 C22 -174.9(4) . . . .
C20 C21 C22 N3 -0.7(7) . . . .
O3 C7 N1 C8 -1.3(5) . . . .
C6 C7 N1 C8 175.6(3) . . . .
C10 C8 N1 C7 178.4(3) . . . .
C9 C8 N1 C7 57.3(4) . . . .
C14 C13 N2 C17 1.1(6) . . . .
C14 C13 N2 Cd1 -177.6(3) . . . .
C16 C17 N2 C13 -0.5(6) . . . .
C16 C17 N2 Cd1 178.1(3) . . . .
O1 Cd1 N2 C13 44.4(3) . . . .
O4 Cd1 N2 C13 126.5(3) 1_655 . . .
O6 Cd1 N2 C13 -69.9(3) . . . .
N3 Cd1 N2 C13 -130.3(3) 1_554 . . .
O5 Cd1 N2 C13 178.4(3) 1_655 . . .
O2 Cd1 N2 C13 0.6(3) . . . .
O1 Cd1 N2 C17 -134.1(3) . . . .
O4 Cd1 N2 C17 -52.1(3) 1_655 . . .
O6 Cd1 N2 C17 111.5(3) . . . .
N3 Cd1 N2 C17 51.2(4) 1_554 . . .
O5 Cd1 N2 C17 -0.2(3) 1_655 . . .
O2 Cd1 N2 C17 -177.9(3) . . . .
C19 C18 N3 C22 2.5(6) . . . .
C19 C18 N3 Cd1 -163.7(3) . . . 1_556
C21 C22 N3 C18 -2.0(6) . . . .
C21 C22 N3 Cd1 165.3(3) . . . 1_556
O2 C9 O1 Cd1 5.4(4) . . . .
C8 C9 O1 Cd1 -179.6(3) . . . .
N2 Cd1 O1 C9 -63.5(2) . . . .
O4 Cd1 O1 C9 -154.8(2) 1_655 . . .
O6 Cd1 O1 C9 32.1(2) . . . .
N3 Cd1 O1 C9 114.4(2) 1_554 . . .
O5 Cd1 O1 C9 -168.47(19) 1_655 . . .
O2 Cd1 O1 C9 -2.7(2) . . . .
O1 C9 O2 Cd1 -4.6(4) . . . .
C8 C9 O2 Cd1 -179.7(3) . . . .
O1 Cd1 O2 C9 2.7(2) . . . .
N2 Cd1 O2 C9 130.4(2) . . . .
O4 Cd1 O2 C9 37.5(2) 1_655 . . .
O6 Cd1 O2 C9 -143.8(2) . . . .
N3 Cd1 O2 C9 -68.2(2) 1_554 . . .
O5 Cd1 O2 C9 119.4(4) 1_655 . . .
O5 C12 O4 Cd1 -7.9(4) . . . 1_455
C11 C12 O4 Cd1 170.1(3) . . . 1_455
O4 C12 O5 Cd1 7.1(3) . . . 1_455
C11 C12 O5 Cd1 -170.8(3) . . . 1_455
