#------------------------------------------------------------------------------
#$Date: 2025-08-18 18:33:07 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301779 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/24/1542457.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_1542457
loop_
_publ_author_name
'Guo, Lei-Qun'
'Jiang, Yin-Hua'
_publ_section_title
;
 Bis(acetato-κO)bis{2-[4-(pyridin-2-yl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline-κ²N,N'}cadmium(II)
;
_journal_coeditor_code           CV4002
_journal_issue                   1
_journal_name_full               IUCrData
_journal_page_first              x160063
_journal_paper_doi               10.1107/S2414314616000638
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Cd (C2 H3 O2) (C24 H15 N5)]'
_chemical_formula_moiety         'C52 H36 Cd N10 O4'
_chemical_formula_sum            'C52 H36 Cd N10 O4'
_chemical_formula_weight         977.31
_chemical_name_systematic
Bis(acetato-κO)bis{2-[4-(pyridin-2-yl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline-κ²N,N'}cadmium(II)
_space_group_IT_number           2
_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           SHELXTL
_cell_angle_alpha                107.160(2)
_cell_angle_beta                 103.719(3)
_cell_angle_gamma                96.550(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2984(12)
_cell_length_b                   9.3261(14)
_cell_length_c                   12.5747(16)
_cell_measurement_reflns_used    1729
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.57
_cell_measurement_theta_min      2.11
_cell_volume                     992.1(2)
_computing_cell_refinement
;
SAINT (Bruker, 2005)
;
_computing_data_collection
;
APEX2 (Bruker, 2005)
;
_computing_data_reduction
;
SAINT (Bruker, 2005)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXTL (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0406
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6876
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         3.28
_exptl_absorpt_coefficient_mu    0.618
_exptl_absorpt_correction_T_max  0.8970
_exptl_absorpt_correction_T_min  0.8609
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2005)
;
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             498
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.192
_refine_diff_density_min         -0.952
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         3448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0494
_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)+(0.0696P)²+0.0238P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1170
_refine_ls_wR_factor_ref         0.1224
_reflns_number_gt                3170
_reflns_number_total             3448
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cv4002sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 1542457.cif.'
_cod_database_code               1542457
_cod_database_fobs_code          1542457
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
C C1 0.1738(4) 0.7815(5) 0.7460(3) 0.0222(9) Uani d . 1 1
H H1 0.0793 0.8077 0.7310 0.027 Uiso calc R 1 1
C C2 0.2863(4) 0.8767(5) 0.8459(4) 0.0260(9) Uani d . 1 1
H H2 0.2669 0.9633 0.8957 0.031 Uiso calc R 1 1
C C3 0.4248(4) 0.8383(5) 0.8677(3) 0.0242(9) Uani d . 1 1
H H3 0.5022 0.8992 0.9330 0.029 Uiso calc R 1 1
C C4 0.4507(2) 0.7022(2) 0.78865(19) 0.0209(9) Uani d G 1 1
C C5 0.33294(19) 0.6156(3) 0.6911(2) 0.0193(8) Uani d G 1 1
C C6 0.3560(2) 0.4885(3) 0.61043(17) 0.0183(8) Uani d G 1 1
C C7 0.4969(2) 0.4479(2) 0.62734(19) 0.0203(9) Uani d G 1 1
C C12 0.61462(19) 0.5344(3) 0.7249(2) 0.0199(8) Uani d G 1 1
C C11 0.5915(2) 0.6616(3) 0.80555(17) 0.0195(8) Uani d G 1 1
C C8 0.5160(4) 0.3161(5) 0.5384(4) 0.0224(9) Uani d . 1 1
H H8 0.6090 0.2866 0.5457 0.027 Uiso calc R 1 1
C C9 0.3958(4) 0.2363(5) 0.4440(3) 0.0232(9) Uani d . 1 1
H H9 0.4052 0.1507 0.3871 0.028 Uiso calc R 1 1
C C10 0.2590(4) 0.2859(4) 0.4350(4) 0.0225(9) Uani d . 1 1
H H10 0.1779 0.2311 0.3705 0.027 Uiso calc R 1 1
C C13 0.8247(4) 0.6499(5) 0.8649(3) 0.0217(9) Uani d . 1 1
C C14 0.9828(4) 0.6839(4) 0.9361(3) 0.0210(9) Uani d . 1 1
C C15 1.0378(4) 0.8222(5) 1.0267(3) 0.0224(9) Uani d . 1 1
H H15 0.9748 0.8921 1.0399 0.027 Uiso calc R 1 1
C C16 1.1848(4) 0.8580(5) 1.0977(4) 0.0234(9) Uani d . 1 1
H H16 1.2201 0.9521 1.1569 0.028 Uiso calc R 1 1
C C17 1.2810(4) 0.7524(5) 1.0806(3) 0.0207(9) Uani d . 1 1
C C18 1.2244(4) 0.6149(5) 0.9902(4) 0.0266(10) Uani d . 1 1
H H18 1.2866 0.5440 0.9779 0.032 Uiso calc R 1 1
C C19 1.0785(4) 0.5791(5) 0.9177(4) 0.0249(9) Uani d . 1 1
H H19 1.0442 0.4862 0.8572 0.030 Uiso calc R 1 1
C C20 1.4371(4) 0.7911(4) 1.1599(4) 0.0222(9) Uani d . 1 1
C C21 1.5513(5) 0.7191(5) 1.1270(4) 0.0323(10) Uani d . 1 1
H H21 1.5321 0.6469 1.0537 0.039 Uiso calc R 1 1
C C22 1.6934(5) 0.7574(5) 1.2057(4) 0.0393(12) Uani d . 1 1
H H22 1.7704 0.7095 1.1861 0.047 Uiso calc R 1 1
C C23 1.7198(4) 0.8663(5) 1.3124(4) 0.0303(10) Uani d . 1 1
H H23 1.8144 0.8940 1.3666 0.036 Uiso calc R 1 1
C C24 1.6021(4) 0.9332(5) 1.3369(4) 0.0288(10) Uani d . 1 1
H H24 1.6203 1.0082 1.4089 0.035 Uiso calc R 1 1
C C25 -0.0756(4) 0.2401(5) 0.5775(4) 0.0230(9) Uani d . 1 1
C C26 -0.1180(5) 0.1365(5) 0.6414(4) 0.0304(10) Uani d . 1 1
H H26A -0.1043 0.0352 0.6042 0.046 Uiso calc R 1 1
H H26B -0.2219 0.1332 0.6405 0.046 Uiso calc R 1 1
H H26C -0.0550 0.1747 0.7202 0.046 Uiso calc R 1 1
Cd Cd1 0.0000 0.5000 0.5000 0.02133(17) Uani d S 1 2
N N1 0.1936(3) 0.6574(4) 0.6721(3) 0.0208(7) Uani d . 1 1
N N2 0.2376(3) 0.4062(4) 0.5128(3) 0.0207(7) Uani d . 1 1
N N3 0.7245(3) 0.7336(4) 0.8941(3) 0.0218(7) Uani d . 1 1
N N4 0.7646(3) 0.5293(4) 0.7644(3) 0.0210(7) Uani d . 1 1
H H4 0.8114 0.4627 0.7319 0.025 Uiso calc R 1 1
N N5 1.4633(4) 0.8975(4) 1.2639(3) 0.0262(8) Uani d . 1 1
O O1 -0.0839(3) 0.3810(3) 0.6190(3) 0.0278(7) Uani d . 1 1
O O2 -0.0346(3) 0.1899(3) 0.4899(3) 0.0305(7) Uani d . 1 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 C1 C2 . . 124.1(3)
N1 C1 H1 . . 118.0
C2 C1 H1 . . 118.0
C3 C2 C1 . . 117.9(4)
C3 C2 H2 . . 121.0
C1 C2 H2 . . 121.0
C2 C3 C4 . . 119.5(3)
C2 C3 H3 . . 120.2
C4 C3 H3 . . 120.2
C5 C4 C11 . . 120.0
C5 C4 C3 . . 118.5(2)
C11 C4 C3 . . 121.4(2)
N1 C5 C6 . . 119.6(2)
N1 C5 C4 . . 120.4(2)
C6 C5 C4 . . 120.0
N2 C6 C5 . . 118.8(2)
N2 C6 C7 . . 121.2(2)
C5 C6 C7 . . 120.0
C12 C7 C6 . . 120.0
C12 C7 C8 . . 122.3(2)
C6 C7 C8 . . 117.7(2)
N4 C12 C7 . . 134.5(2)
N4 C12 C11 . . 105.5(2)
C7 C12 C11 . . 120.0
C12 C11 C4 . . 120.0
C12 C11 N3 . . 110.5(2)
C4 C11 N3 . . 129.4(2)
C9 C8 C7 . . 119.4(3)
C9 C8 H8 . . 120.3
C7 C8 H8 . . 120.3
C8 C9 C10 . . 118.6(4)
C8 C9 H9 . . 120.7
C10 C9 H9 . . 120.7
N2 C10 C9 . . 123.9(3)
N2 C10 H10 . . 118.1
C9 C10 H10 . . 118.1
N3 C13 N4 . . 113.0(3)
N3 C13 C14 . . 122.9(4)
N4 C13 C14 . . 124.2(4)
C15 C14 C19 . . 118.9(4)
C15 C14 C13 . . 119.0(4)
C19 C14 C13 . . 122.1(4)
C16 C15 C14 . . 121.2(4)
C16 C15 H15 . . 119.4
C14 C15 H15 . . 119.4
C15 C16 C17 . . 120.2(4)
C15 C16 H16 . . 119.9
C17 C16 H16 . . 119.9
C18 C17 C16 . . 117.9(3)
C18 C17 C20 . . 122.7(4)
C16 C17 C20 . . 119.5(4)
C19 C18 C17 . . 122.3(4)
C19 C18 H18 . . 118.8
C17 C18 H18 . . 118.8
C18 C19 C14 . . 119.5(4)
C18 C19 H19 . . 120.2
C14 C19 H19 . . 120.2
N5 C20 C21 . . 121.5(4)
N5 C20 C17 . . 117.0(4)
C21 C20 C17 . . 121.5(4)
C22 C21 C20 . . 118.8(4)
C22 C21 H21 . . 120.6
C20 C21 H21 . . 120.6
C23 C22 C21 . . 119.6(4)
C23 C22 H22 . . 120.2
C21 C22 H22 . . 120.2
C22 C23 C24 . . 117.8(4)
C22 C23 H23 . . 121.1
C24 C23 H23 . . 121.1
N5 C24 C23 . . 124.2(4)
N5 C24 H24 . . 117.9
C23 C24 H24 . . 117.9
O2 C25 O1 . . 122.6(4)
O2 C25 C26 . . 120.6(4)
O1 C25 C26 . . 116.8(4)
C25 C26 H26A . . 109.5
C25 C26 H26B . . 109.5
H26A C26 H26B . . 109.5
C25 C26 H26C . . 109.5
H26A C26 H26C . . 109.5
H26B C26 H26C . . 109.5
O1 Cd1 O1 2_566 . 180.0000(10)
O1 Cd1 N1 2_566 . 93.95(10)
O1 Cd1 N1 . . 86.05(10)
O1 Cd1 N1 2_566 2_566 86.05(10)
O1 Cd1 N1 . 2_566 93.95(10)
N1 Cd1 N1 . 2_566 180.0
O1 Cd1 N2 2_566 . 83.71(10)
O1 Cd1 N2 . . 96.29(10)
N1 Cd1 N2 . . 68.72(10)
N1 Cd1 N2 2_566 . 111.28(10)
O1 Cd1 N2 2_566 2_566 96.29(10)
O1 Cd1 N2 . 2_566 83.71(10)
N1 Cd1 N2 . 2_566 111.28(10)
N1 Cd1 N2 2_566 2_566 68.72(10)
N2 Cd1 N2 . 2_566 180.0000(10)
C1 N1 C5 . . 119.5(3)
C1 N1 Cd1 . . 123.2(2)
C5 N1 Cd1 . . 117.3(2)
C10 N2 C6 . . 119.2(3)
C10 N2 Cd1 . . 125.2(2)
C6 N2 Cd1 . . 115.6(2)
C13 N3 C11 . . 104.0(3)
C13 N4 C12 . . 107.0(3)
C13 N4 H4 . . 126.5
C12 N4 H4 . . 126.5
C24 N5 C20 . . 118.1(4)
C25 O1 Cd1 . . 105.5(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 N1 . 1.316(5)
C1 C2 . 1.402(5)
C1 H1 . 0.9300
C2 C3 . 1.363(5)
C2 H2 . 0.9300
C3 C4 . 1.448(4)
C3 H3 . 0.9300
C4 C5 . 1.3900
C4 C11 . 1.3900
C5 N1 . 1.382(3)
C5 C6 . 1.3900
C6 N2 . 1.385(3)
C6 C7 . 1.3900
C7 C12 . 1.3900
C7 C8 . 1.459(4)
C12 N4 . 1.376(3)
C12 C11 . 1.3900
C11 N3 . 1.391(3)
C8 C9 . 1.367(5)
C8 H8 . 0.9300
C9 C10 . 1.394(5)
C9 H9 . 0.9300
C10 N2 . 1.323(5)
C10 H10 . 0.9300
C13 N3 . 1.331(5)
C13 N4 . 1.363(5)
C13 C14 . 1.472(5)
C14 C15 . 1.389(5)
C14 C19 . 1.401(6)
C15 C16 . 1.385(5)
C15 H15 . 0.9300
C16 C17 . 1.408(5)
C16 H16 . 0.9300
C17 C18 . 1.384(6)
C17 C20 . 1.488(5)
C18 C19 . 1.383(5)
C18 H18 . 0.9300
C19 H19 . 0.9300
C20 N5 . 1.334(5)
C20 C21 . 1.398(6)
C21 C22 . 1.384(6)
C21 H21 . 0.9300
C22 C23 . 1.370(6)
C22 H22 . 0.9300
C23 C24 . 1.372(6)
C23 H23 . 0.9300
C24 N5 . 1.334(5)
C24 H24 . 0.9300
C25 O2 . 1.230(5)
C25 O1 . 1.282(5)
C25 C26 . 1.503(6)
C26 H26A . 0.9600
C26 H26B . 0.9600
C26 H26C . 0.9600
Cd1 O1 2_566 2.326(3)
Cd1 O1 . 2.326(3)
Cd1 N1 . 2.399(3)
Cd1 N1 2_566 2.399(3)
Cd1 N2 . 2.455(3)
Cd1 N2 2_566 2.455(3)
N4 H4 . 0.8600
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N4 H4 O1 1_655 0.86 1.93 2.724(4) 152.5
C9 H9 N5 1_444 0.93 2.61 3.523(5) 168.2
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_site_symmetry_1
_geom_torsion
N1 C1 C2 C3 . 0.0(6)
C1 C2 C3 C4 . -0.3(6)
C2 C3 C4 C5 . 1.1(5)
C2 C3 C4 C11 . 177.9(3)
C11 C4 C5 N1 . -178.4(3)
C3 C4 C5 N1 . -1.5(3)
C11 C4 C5 C6 . 0.0
C3 C4 C5 C6 . 176.9(3)
N1 C5 C6 N2 . -0.3(3)
C4 C5 C6 N2 . -178.7(3)
N1 C5 C6 C7 . 178.4(3)
C4 C5 C6 C7 . 0.0
N2 C6 C7 C12 . 178.6(3)
C5 C6 C7 C12 . 0.0
N2 C6 C7 C8 . 0.3(3)
C5 C6 C7 C8 . -178.3(3)
C6 C7 C12 N4 . -177.2(3)
C8 C7 C12 N4 . 1.1(4)
C6 C7 C12 C11 . 0.0
C8 C7 C12 C11 . 178.2(3)
N4 C12 C11 C4 . 177.9(2)
C7 C12 C11 C4 . 0.0
N4 C12 C11 N3 . -0.4(3)
C7 C12 C11 N3 . -178.3(2)
C5 C4 C11 C12 . 0.0
C3 C4 C11 C12 . -176.8(3)
C5 C4 C11 N3 . 177.9(3)
C3 C4 C11 N3 . 1.2(3)
C12 C7 C8 C9 . -179.6(3)
C6 C7 C8 C9 . -1.3(4)
C7 C8 C9 C10 . 1.2(6)
C8 C9 C10 N2 . -0.2(6)
N3 C13 C14 C15 . -11.1(6)
N4 C13 C14 C15 . 170.1(4)
N3 C13 C14 C19 . 166.8(4)
N4 C13 C14 C19 . -11.9(6)
C19 C14 C15 C16 . 0.5(6)
C13 C14 C15 C16 . 178.5(4)
C14 C15 C16 C17 . -1.3(6)
C15 C16 C17 C18 . 1.1(6)
C15 C16 C17 C20 . -178.3(4)
C16 C17 C18 C19 . 0.0(6)
C20 C17 C18 C19 . 179.3(4)
C17 C18 C19 C14 . -0.7(6)
C15 C14 C19 C18 . 0.5(6)
C13 C14 C19 C18 . -177.4(4)
C18 C17 C20 N5 . -157.8(4)
C16 C17 C20 N5 . 21.5(6)
C18 C17 C20 C21 . 22.2(6)
C16 C17 C20 C21 . -158.5(4)
N5 C20 C21 C22 . 1.5(7)
C17 C20 C21 C22 . -178.5(4)
C20 C21 C22 C23 . -1.3(7)
C21 C22 C23 C24 . 0.1(7)
C22 C23 C24 N5 . 0.9(7)
C2 C1 N1 C5 . -0.5(6)
C2 C1 N1 Cd1 . -178.7(3)
C6 C5 N1 C1 . -177.1(3)
C4 C5 N1 C1 . 1.2(4)
C6 C5 N1 Cd1 . 1.2(3)
C4 C5 N1 Cd1 . 179.58(13)
O1 Cd1 N1 C1 2_566 95.5(3)
O1 Cd1 N1 C1 . -84.5(3)
N2 Cd1 N1 C1 . 177.2(3)
N2 Cd1 N1 C1 2_566 -2.8(3)
O1 Cd1 N1 C5 2_566 -82.8(2)
O1 Cd1 N1 C5 . 97.2(2)
N2 Cd1 N1 C5 . -1.1(2)
N2 Cd1 N1 C5 2_566 178.9(2)
C9 C10 N2 C6 . -0.9(6)
C9 C10 N2 Cd1 . 179.3(3)
C5 C6 N2 C10 . 179.4(3)
C7 C6 N2 C10 . 0.8(4)
C5 C6 N2 Cd1 . -0.8(3)
C7 C6 N2 Cd1 . -179.40(13)
O1 Cd1 N2 C10 2_566 -82.5(3)
O1 Cd1 N2 C10 . 97.5(3)
N1 Cd1 N2 C10 . -179.2(3)
N1 Cd1 N2 C10 2_566 0.8(3)
O1 Cd1 N2 C6 2_566 97.7(2)
O1 Cd1 N2 C6 . -82.3(2)
N1 Cd1 N2 C6 . 1.0(2)
N1 Cd1 N2 C6 2_566 -179.0(2)
N4 C13 N3 C11 . -0.3(4)
C14 C13 N3 C11 . -179.2(3)
C12 C11 N3 C13 . 0.5(3)
C4 C11 N3 C13 . -177.6(2)
N3 C13 N4 C12 . 0.1(4)
C14 C13 N4 C12 . 178.9(3)
C7 C12 N4 C13 . 177.6(2)
C11 C12 N4 C13 . 0.2(3)
C23 C24 N5 C20 . -0.7(6)
C21 C20 N5 C24 . -0.6(6)
C17 C20 N5 C24 . 179.4(3)
O2 C25 O1 Cd1 . -2.0(4)
C26 C25 O1 Cd1 . 177.7(3)
O1 Cd1 O1 C25 2_566 11E1(10)
N1 Cd1 O1 C25 . -119.9(2)
N1 Cd1 O1 C25 2_566 60.1(2)
N2 Cd1 O1 C25 . -51.8(2)
N2 Cd1 O1 C25 2_566 128.2(2)
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1 PubChem 139048044
