#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/00/2220033.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2220033
loop_
_publ_author_name
'Shi, Qing-Yuan'
'Li, Zhi-Cheng'
'Cheng, Zong-Sheng'
'Tan, Jing-Bo'
'Liu, Jia-Lun'
_publ_section_title
Bis(μ-2-hydroxybenozato)-κ³O,O':O';κ³O:O,O'-bis[(2-hydroxybenozato-κ²O,O')(1,10-phenanthroline-κ²N,N')cadmium(II)]
_journal_coeditor_code           ZL2145
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1458
_journal_paper_doi               10.1107/S1600536808033886
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cd2 (C7 H5 O3)4 (C12 H8 N2)2]'
_chemical_formula_moiety         'C52 H36 Cd2 N4 O12'
_chemical_formula_sum            'C52 H36 Cd2 N4 O12'
_chemical_formula_weight         1133.65
_chemical_name_systematic
;
Bis(μ-2-hydroxybenozato)-
κ³O,O':O';κ³O:O,O'-
bis[(2-hydroxybenozato-κ²O,O')(1,10-phenanthroline-
κ²N,N')cadmium(II)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 130.7700(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.9391(19)
_cell_length_b                   10.3078(7)
_cell_length_c                   20.468(2)
_cell_measurement_reflns_used    4082
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.40
_cell_measurement_theta_min      1.92
_cell_volume                     4464.2(6)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11963
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  0.8369
_exptl_absorpt_correction_T_min  0.7483
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.251
_refine_diff_density_min         -0.357
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4390
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0256
_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)+(0.0314P)²+1.2193P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0628
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                3671
_reflns_number_total             4390
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            zl2145.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2220033
_cod_database_fobs_code          2220033
loop_
_symmetry_equiv_pos_as_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_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
C C1 0.13185(12) 0.5408(3) 0.40308(16) 0.0477(6) Uani d . 1
H H1 0.1436 0.4625 0.4326 0.057 Uiso calc R 1
C C2 0.15571(15) 0.6556(3) 0.4506(2) 0.0609(8) Uani d . 1
H H2 0.1832 0.6534 0.5105 0.073 Uiso calc R 1
C C3 0.13835(14) 0.7702(3) 0.40838(19) 0.0644(8) Uani d . 1
H H3 0.1536 0.8474 0.4394 0.077 Uiso calc R 1
C C4 0.09731(13) 0.7733(3) 0.31771(18) 0.0491(7) Uani d . 1
C C5 0.07771(16) 0.8903(3) 0.2685(2) 0.0652(9) Uani d . 1
H H5 0.0920 0.9697 0.2971 0.078 Uiso calc R 1
C C6 0.03932(15) 0.8881(3) 0.1826(2) 0.0604(8) Uani d . 1
H H6 0.0278 0.9657 0.1524 0.072 Uiso calc R 1
C C7 0.01567(12) 0.7686(2) 0.13628(17) 0.0448(6) Uani d . 1
C C8 -0.02500(12) 0.7611(3) 0.04561(18) 0.0517(7) Uani d . 1
H H8 -0.0379 0.8367 0.0131 0.062 Uiso calc R 1
C C9 -0.04538(13) 0.6440(3) 0.00554(18) 0.0510(7) Uani d . 1
H H9 -0.0719 0.6383 -0.0542 0.061 Uiso calc R 1
C C10 -0.02569(11) 0.5324(3) 0.05582(16) 0.0438(6) Uani d . 1
H H10 -0.0399 0.4524 0.0281 0.053 Uiso calc R 1
C C11 0.03313(11) 0.6513(2) 0.18132(16) 0.0352(5) Uani d . 1
C C12 0.07583(11) 0.6531(2) 0.27488(16) 0.0362(5) Uani d . 1
C C13 0.16216(11) 0.2707(2) 0.25844(15) 0.0393(6) Uani d . 1
C C14 0.22134(11) 0.2278(2) 0.27919(16) 0.0407(6) Uani d . 1
C C15 0.26018(13) 0.1335(3) 0.34283(19) 0.0518(7) Uani d . 1
C C16 0.31708(14) 0.1016(3) 0.3645(2) 0.0701(9) Uani d . 1
H H16 0.3431 0.0400 0.4071 0.084 Uiso calc R 1
C C17 0.33538(17) 0.1594(4) 0.3243(3) 0.0817(12) Uani d . 1
H H17 0.3737 0.1362 0.3395 0.098 Uiso calc R 1
C C18 0.29839(16) 0.2517(4) 0.2617(3) 0.0750(10) Uani d . 1
H H18 0.3114 0.2908 0.2346 0.090 Uiso calc R 1
C C19 0.24122(14) 0.2856(3) 0.2392(2) 0.0558(7) Uani d . 1
H H19 0.2159 0.3480 0.1969 0.067 Uiso calc R 1
C C20 -0.05515(11) 0.2173(2) 0.10588(15) 0.0382(5) Uani d . 1
C C21 -0.11314(11) 0.1442(2) 0.03654(15) 0.0361(5) Uani d . 1
C C22 -0.11635(12) 0.0730(2) -0.02440(15) 0.0432(6) Uani d . 1
C C23 -0.17163(14) 0.0033(3) -0.08804(16) 0.0565(8) Uani d . 1
H H23 -0.1743 -0.0454 -0.1285 0.068 Uiso calc R 1
C C24 -0.22170(13) 0.0073(3) -0.09029(18) 0.0607(8) Uani d . 1
H H24 -0.2581 -0.0396 -0.1324 0.073 Uiso calc R 1
C C25 -0.21937(13) 0.0784(3) -0.03221(18) 0.0576(8) Uani d . 1
H H25 -0.2541 0.0811 -0.0353 0.069 Uiso calc R 1
C C26 -0.16526(12) 0.1463(2) 0.03120(17) 0.0451(6) Uani d . 1
H H26 -0.1636 0.1944 0.0711 0.054 Uiso calc R 1
Cd Cd1 0.057575(8) 0.350425(15) 0.231588(11) 0.03562(7) Uani d . 1
N N1 0.09300(9) 0.53845(19) 0.31732(12) 0.0372(4) Uani d . 1
N N2 0.01241(8) 0.53497(18) 0.14148(12) 0.0361(4) Uani d . 1
O O1 0.13009(8) 0.36071(17) 0.20625(12) 0.0517(5) Uani d . 1
O O2 0.14511(8) 0.21631(18) 0.29634(11) 0.0497(5) Uani d . 1
O O3 0.24496(10) 0.0733(2) 0.38541(14) 0.0733(6) Uani d . 1
H H3A 0.2083 0.0907 0.3625 0.110 Uiso d R 1
O O4 -0.00846(8) 0.21515(17) 0.10927(12) 0.0527(5) Uani d . 1
O O5 0.05244(8) 0.28218(18) 0.34009(12) 0.0516(5) Uani d . 1
O O6 -0.06878(9) 0.06944(18) -0.02577(12) 0.0582(5) Uani d . 1
H H6A -0.0397 0.1157 0.0128 0.087 Uiso d R 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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 C1 C2 . . 122.8(3)
N1 C1 H1 . . 118.6
C2 C1 H1 . . 118.6
C3 C2 C1 . . 119.1(3)
C3 C2 H2 . . 120.4
C1 C2 H2 . . 120.4
C2 C3 C4 . . 120.4(3)
C2 C3 H3 . . 119.8
C4 C3 H3 . . 119.8
C12 C4 C3 . . 116.8(3)
C12 C4 C5 . . 119.5(3)
C3 C4 C5 . . 123.7(3)
C6 C5 C4 . . 121.4(3)
C6 C5 H5 . . 119.3
C4 C5 H5 . . 119.3
C5 C6 C7 . . 121.0(3)
C5 C6 H6 . . 119.5
C7 C6 H6 . . 119.5
C11 C7 C8 . . 117.0(2)
C11 C7 C6 . . 119.8(3)
C8 C7 C6 . . 123.2(2)
C9 C8 C7 . . 120.2(2)
C9 C8 H8 . . 119.9
C7 C8 H8 . . 119.9
C8 C9 C10 . . 118.7(3)
C8 C9 H9 . . 120.7
C10 C9 H9 . . 120.7
N2 C10 C9 . . 123.1(2)
N2 C10 H10 . . 118.4
C9 C10 H10 . . 118.4
N2 C11 C7 . . 122.8(2)
N2 C11 C12 . . 117.8(2)
C7 C11 C12 . . 119.4(2)
N1 C12 C4 . . 122.7(2)
N1 C12 C11 . . 118.5(2)
C4 C12 C11 . . 118.8(2)
O1 C13 O2 . . 120.2(2)
O1 C13 C14 . . 120.7(2)
O2 C13 C14 . . 119.0(2)
C19 C14 C15 . . 118.7(3)
C19 C14 C13 . . 120.3(2)
C15 C14 C13 . . 120.9(2)
O3 C15 C16 . . 117.8(3)
O3 C15 C14 . . 122.7(2)
C16 C15 C14 . . 119.5(3)
C17 C16 C15 . . 120.7(3)
C17 C16 H16 . . 119.6
C15 C16 H16 . . 119.6
C16 C17 C18 . . 121.2(3)
C16 C17 H17 . . 119.4
C18 C17 H17 . . 119.4
C17 C18 C19 . . 119.0(3)
C17 C18 H18 . . 120.5
C19 C18 H18 . . 120.5
C14 C19 C18 . . 120.9(3)
C14 C19 H19 . . 119.5
C18 C19 H19 . . 119.5
O5 C20 O4 2 . 119.8(2)
O5 C20 C21 2 . 121.0(2)
O4 C20 C21 . . 119.2(2)
C26 C21 C22 . . 119.0(2)
C26 C21 C20 . . 120.1(2)
C22 C21 C20 . . 120.9(2)
O6 C22 C21 . . 122.9(2)
O6 C22 C23 . . 118.0(2)
C21 C22 C23 . . 119.1(3)
C24 C23 C22 . . 119.8(3)
C24 C23 H23 . . 120.1
C22 C23 H23 . . 120.1
C25 C24 C23 . . 121.4(3)
C25 C24 H24 . . 119.3
C23 C24 H24 . . 119.3
C24 C25 C26 . . 119.6(3)
C24 C25 H25 . . 120.2
C26 C25 H25 . . 120.2
C25 C26 C21 . . 121.1(3)
C25 C26 H26 . . 119.5
C21 C26 H26 . . 119.5
O2 Cd1 N1 . . 106.89(7)
O2 Cd1 N2 . . 138.63(6)
N1 Cd1 N2 . . 70.68(7)
O2 Cd1 O4 . . 93.20(6)
N1 Cd1 O4 . . 158.83(6)
N2 Cd1 O4 . . 89.92(6)
O2 Cd1 O1 . . 55.09(6)
N1 Cd1 O1 . . 96.97(7)
N2 Cd1 O1 . . 83.78(6)
O4 Cd1 O1 . . 88.99(7)
O2 Cd1 O5 . . 88.55(6)
N1 Cd1 O5 . . 78.67(7)
N2 Cd1 O5 . . 128.98(6)
O4 Cd1 O5 . . 109.11(7)
O1 Cd1 O5 . . 140.82(6)
O2 Cd1 O5 . 2 126.96(6)
N1 Cd1 O5 . 2 115.33(6)
N2 Cd1 O5 . 2 86.73(6)
O4 Cd1 O5 . 2 53.13(6)
O1 Cd1 O5 . 2 140.94(6)
O5 Cd1 O5 . 2 70.66(7)
C1 N1 C12 . . 118.2(2)
C1 N1 Cd1 . . 125.56(17)
C12 N1 Cd1 . . 116.05(15)
C10 N2 C11 . . 118.2(2)
C10 N2 Cd1 . . 124.98(16)
C11 N2 Cd1 . . 116.38(15)
C13 O1 Cd1 . . 91.02(15)
C13 O2 Cd1 . . 93.65(15)
C15 O3 H3A . . 109.4
C20 O4 Cd1 . . 96.43(15)
C20 O5 Cd1 2 . 163.72(17)
C20 O5 Cd1 2 2 90.61(15)
Cd1 O5 Cd1 . 2 99.62(6)
C22 O6 H6A . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 N1 . 1.331(3)
C1 C2 . 1.394(4)
C1 H1 . 0.9300
C2 C3 . 1.353(4)
C2 H2 . 0.9300
C3 C4 . 1.407(4)
C3 H3 . 0.9300
C4 C12 . 1.406(3)
C4 C5 . 1.432(4)
C5 C6 . 1.335(5)
C5 H5 . 0.9300
C6 C7 . 1.426(4)
C6 H6 . 0.9300
C7 C11 . 1.401(3)
C7 C8 . 1.410(4)
C8 C9 . 1.358(4)
C8 H8 . 0.9300
C9 C10 . 1.395(3)
C9 H9 . 0.9300
C10 N2 . 1.331(3)
C10 H10 . 0.9300
C11 N2 . 1.349(3)
C11 C12 . 1.451(4)
C12 N1 . 1.355(3)
C13 O1 . 1.247(3)
C13 O2 . 1.275(3)
C13 C14 . 1.480(3)
C14 C19 . 1.388(4)
C14 C15 . 1.405(4)
C15 O3 . 1.345(4)
C15 C16 . 1.382(4)
C16 C17 . 1.357(6)
C16 H16 . 0.9300
C17 C18 . 1.373(5)
C17 H17 . 0.9300
C18 C19 . 1.388(4)
C18 H18 . 0.9300
C19 H19 . 0.9300
C20 O5 2 1.252(3)
C20 O4 . 1.260(3)
C20 C21 . 1.484(3)
C21 C26 . 1.388(4)
C21 C22 . 1.399(3)
C22 O6 . 1.348(3)
C22 C23 . 1.404(4)
C23 C24 . 1.370(4)
C23 H23 . 0.9300
C24 C25 . 1.362(4)
C24 H24 . 0.9300
C25 C26 . 1.378(4)
C25 H25 . 0.9300
C26 H26 . 0.9300
Cd1 O2 . 2.3271(16)
Cd1 N1 . 2.355(2)
Cd1 N2 . 2.3606(19)
Cd1 O4 . 2.3630(18)
Cd1 O1 . 2.3993(19)
Cd1 O5 . 2.4214(18)
Cd1 O5 2 2.4911(18)
O3 H3A . 0.8199
O5 C20 2 1.252(3)
O5 Cd1 2 2.4911(18)
O6 H6A . 0.8200
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
O6 H6A O4 0.82 1.86 2.579(3) 145.7
O3 H3A O2 0.82 1.87 2.576(2) 143.2
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_site_symmetry_4
_geom_torsion
N1 C1 C2 C3 . . 0.8(5)
C1 C2 C3 C4 . . -0.7(5)
C2 C3 C4 C12 . . 0.3(4)
C2 C3 C4 C5 . . -178.8(3)
C12 C4 C5 C6 . . 0.1(5)
C3 C4 C5 C6 . . 179.1(3)
C4 C5 C6 C7 . . 0.8(5)
C5 C6 C7 C11 . . -0.4(4)
C5 C6 C7 C8 . . 179.9(3)
C11 C7 C8 C9 . . -0.2(4)
C6 C7 C8 C9 . . 179.4(3)
C7 C8 C9 C10 . . 0.5(4)
C8 C9 C10 N2 . . -0.2(4)
C8 C7 C11 N2 . . -0.4(4)
C6 C7 C11 N2 . . 179.9(2)
C8 C7 C11 C12 . . 178.9(2)
C6 C7 C11 C12 . . -0.7(4)
C3 C4 C12 N1 . . 0.1(4)
C5 C4 C12 N1 . . 179.3(2)
C3 C4 C12 C11 . . 179.7(2)
C5 C4 C12 C11 . . -1.2(4)
N2 C11 C12 N1 . . 0.4(3)
C7 C11 C12 N1 . . -178.9(2)
N2 C11 C12 C4 . . -179.1(2)
C7 C11 C12 C4 . . 1.5(4)
O1 C13 C14 C19 . . -1.4(4)
O2 C13 C14 C19 . . -179.7(2)
O1 C13 C14 C15 . . 175.0(2)
O2 C13 C14 C15 . . -3.3(3)
C19 C14 C15 O3 . . 179.4(3)
C13 C14 C15 O3 . . 2.9(4)
C19 C14 C15 C16 . . 0.6(4)
C13 C14 C15 C16 . . -175.9(2)
O3 C15 C16 C17 . . -179.6(3)
C14 C15 C16 C17 . . -0.8(5)
C15 C16 C17 C18 . . 0.5(5)
C16 C17 C18 C19 . . -0.1(5)
C15 C14 C19 C18 . . -0.2(4)
C13 C14 C19 C18 . . 176.3(2)
C17 C18 C19 C14 . . 0.0(5)
O5 C20 C21 C26 2 . -0.5(3)
O4 C20 C21 C26 . . -179.4(2)
O5 C20 C21 C22 2 . 179.2(2)
O4 C20 C21 C22 . . 0.3(3)
C26 C21 C22 O6 . . 177.6(2)
C20 C21 C22 O6 . . -2.1(3)
C26 C21 C22 C23 . . -1.4(3)
C20 C21 C22 C23 . . 178.9(2)
O6 C22 C23 C24 . . -178.3(2)
C21 C22 C23 C24 . . 0.8(4)
C22 C23 C24 C25 . . 0.4(4)
C23 C24 C25 C26 . . -1.1(4)
C24 C25 C26 C21 . . 0.4(4)
C22 C21 C26 C25 . . 0.8(4)
C20 C21 C26 C25 . . -179.5(2)
C2 C1 N1 C12 . . -0.4(4)
C2 C1 N1 Cd1 . . 174.0(2)
C4 C12 N1 C1 . . -0.1(4)
C11 C12 N1 C1 . . -179.6(2)
C4 C12 N1 Cd1 . . -174.99(19)
C11 C12 N1 Cd1 . . 5.5(3)
O2 Cd1 N1 C1 . . -44.2(2)
N2 Cd1 N1 C1 . . 179.3(2)
O4 Cd1 N1 C1 . . 154.77(19)
O1 Cd1 N1 C1 . . -99.78(19)
O5 Cd1 N1 C1 . . 40.75(19)
O5 Cd1 N1 C1 2 . 102.81(19)
O2 Cd1 N1 C12 . . 130.28(16)
N2 Cd1 N1 C12 . . -6.16(15)
O4 Cd1 N1 C12 . . -30.7(3)
O1 Cd1 N1 C12 . . 74.72(16)
O5 Cd1 N1 C12 . . -144.75(17)
O5 Cd1 N1 C12 2 . -82.69(17)
C9 C10 N2 C11 . . -0.4(4)
C9 C10 N2 Cd1 . . -172.1(2)
C7 C11 N2 C10 . . 0.7(3)
C12 C11 N2 C10 . . -178.6(2)
C7 C11 N2 Cd1 . . 173.18(18)
C12 C11 N2 Cd1 . . -6.2(3)
O2 Cd1 N2 C10 . . 84.4(2)
N1 Cd1 N2 C10 . . 178.3(2)
O4 Cd1 N2 C10 . . -10.32(19)
O1 Cd1 N2 C10 . . 78.67(19)
O5 Cd1 N2 C10 . . -125.16(18)
O5 Cd1 N2 C10 2 . -63.38(18)
O2 Cd1 N2 C11 . . -87.44(18)
N1 Cd1 N2 C11 . . 6.44(15)
O4 Cd1 N2 C11 . . 177.81(16)
O1 Cd1 N2 C11 . . -93.21(16)
O5 Cd1 N2 C11 . . 62.97(18)
O5 Cd1 N2 C11 2 . 124.74(16)
O2 C13 O1 Cd1 . . 1.5(2)
C14 C13 O1 Cd1 . . -176.72(19)
O2 Cd1 O1 C13 . . -0.88(14)
N1 Cd1 O1 C13 . . 104.88(15)
N2 Cd1 O1 C13 . . 174.48(15)
O4 Cd1 O1 C13 . . -95.49(15)
O5 Cd1 O1 C13 . . 24.28(19)
O5 Cd1 O1 C13 2 . -108.56(16)
O1 C13 O2 Cd1 . . -1.6(2)
C14 C13 O2 Cd1 . . 176.70(18)
N1 Cd1 O2 C13 . . -85.86(15)
N2 Cd1 O2 C13 . . -6.14(19)
O4 Cd1 O2 C13 . . 87.38(15)
O1 Cd1 O2 C13 . . 0.86(13)
O5 Cd1 O2 C13 . . -163.56(15)
O5 Cd1 O2 C13 2 . 132.15(14)
O5 C20 O4 Cd1 2 . 0.7(2)
C21 C20 O4 Cd1 . . 179.66(17)
O2 Cd1 O4 C20 . . 134.91(14)
N1 Cd1 O4 C20 . . -63.3(2)
N2 Cd1 O4 C20 . . -86.37(15)
O1 Cd1 O4 C20 . . -170.14(15)
O5 Cd1 O4 C20 . . 45.33(15)
O5 Cd1 O4 C20 2 . -0.40(13)
O2 Cd1 O5 C20 . 2 -34.5(6)
N1 Cd1 O5 C20 . 2 -142.0(6)
N2 Cd1 O5 C20 . 2 164.6(6)
O4 Cd1 O5 C20 . 2 58.4(6)
O1 Cd1 O5 C20 . 2 -54.9(6)
O5 Cd1 O5 C20 2 2 95.8(6)
O2 Cd1 O5 Cd1 . 2 -162.70(7)
N1 Cd1 O5 Cd1 . 2 89.75(7)
N2 Cd1 O5 Cd1 . 2 36.35(10)
O4 Cd1 O5 Cd1 . 2 -69.82(8)
O1 Cd1 O5 Cd1 . 2 176.89(7)
O5 Cd1 O5 Cd1 2 2 -32.44(8)
