#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:17:26 +0200 (Sat 05 de Jun de 2021) $
#$Revision: 265981 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/24/7242413.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_7242413
loop_
_publ_author_name
'Wu, Jing-Yun'
'Hu, Zhi-Jia'
'Sung, Hui-Ling'
_publ_section_title
;
 A water-stable molecular cadmium phosphonate bearing
 2-(2-pyridyl)benzimidazole as a highly sensitive luminescence sensor for
 the selective detection of bisphenol AF and bisphenol B
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              2842
_journal_page_last               2853
_journal_paper_doi               10.1039/D0CE01740J
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C48 H68 Cd2 N6 O24 P6'
_chemical_formula_weight         1523.70
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-17 deposited with the CCDC.	2021-03-15 downloaded from the CCDC.
;
_cell_angle_alpha                99.969(2)
_cell_angle_beta                 111.335(2)
_cell_angle_gamma                90.590(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4889(6)
_cell_length_b                   11.1126(7)
_cell_length_c                   13.9538(8)
_cell_measurement_reflns_used    9982
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.907
_cell_measurement_theta_min      2.213
_cell_volume                     1487.34(15)
_computing_cell_refinement       'Bruker D8 Venture'
_computing_data_collection       'Bruker D8 Venture'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Photon 100 CMOS detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0787
_diffrn_reflns_av_unetI/netI     0.0558
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30320
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.066
_diffrn_reflns_theta_max         25.066
_diffrn_reflns_theta_min         2.214
_exptl_absorpt_coefficient_mu    0.962
_exptl_absorpt_correction_T_max  0.9625
_exptl_absorpt_correction_T_min  0.9015
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_description       prism
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.336
_refine_diff_density_min         -1.352
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         5272
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0510
_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)+(0.0346P)²+9.8730P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1338
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3925
_reflns_number_total             5272
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01740j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7242413.cif.'
_cod_database_code               7242413
_shelx_shelxl_version_number     2014/7
_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   0.902
_shelx_estimated_absorpt_t_max   0.963
loop_
_space_group_symop_operation_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_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
C1 C 0.3438(7) 0.3825(6) -0.0690(5) 0.0351(16) Uani 1 1 d . . . . .
H1 H 0.2594 0.4183 -0.0775 0.042 Uiso 1 1 calc R U . . .
C2 C 0.4200(7) 0.4153(7) -0.1239(5) 0.0373(17) Uani 1 1 d . . . . .
H2 H 0.3886 0.4729 -0.1687 0.045 Uiso 1 1 calc R U . . .
C3 C 0.5417(8) 0.3641(7) -0.1132(6) 0.0443(19) Uani 1 1 d . . . . .
H3 H 0.5969 0.3856 -0.1496 0.053 Uiso 1 1 calc R U . . .
C4 C 0.5817(8) 0.2788(7) -0.0465(6) 0.0418(18) Uani 1 1 d . . . . .
H4 H 0.6646 0.2401 -0.0375 0.050 Uiso 1 1 calc R U . . .
C5 C 0.4995(7) 0.2521(6) 0.0053(5) 0.0291(14) Uani 1 1 d . . . . .
C6 C 0.5334(6) 0.1653(6) 0.0786(5) 0.0259(14) Uani 1 1 d . . . . .
C7 C 0.6486(7) 0.0371(6) 0.1777(5) 0.0292(14) Uani 1 1 d . . . . .
C8 C 0.7417(7) -0.0369(6) 0.2322(6) 0.0403(17) Uani 1 1 d . . . . .
H8 H 0.8263 -0.0495 0.2231 0.048 Uiso 1 1 calc R U . . .
C9 C 0.7048(8) -0.0910(7) 0.3002(6) 0.0458(19) Uani 1 1 d . . . . .
H9 H 0.7663 -0.1421 0.3400 0.055 Uiso 1 1 calc R U . . .
C10 C 0.5800(7) -0.0739(6) 0.3133(5) 0.0363(16) Uani 1 1 d . . . . .
H10 H 0.5590 -0.1147 0.3608 0.044 Uiso 1 1 calc R U . . .
C11 C 0.4878(7) -0.0011(6) 0.2604(5) 0.0355(16) Uani 1 1 d . . . . .
H11 H 0.4030 0.0101 0.2696 0.043 Uiso 1 1 calc R U . . .
C12 C 0.5252(7) 0.0582(6) 0.1899(5) 0.0321(15) Uani 1 1 d . . . . .
C13 C 0.6610(6) 0.4094(6) 0.3602(5) 0.0270(14) Uani 1 1 d . . . . .
H13A H 0.6660 0.3217 0.3333 0.032 Uiso 1 1 calc R U . . .
H13B H 0.6872 0.4577 0.3160 0.032 Uiso 1 1 calc R U . . .
C14 C 0.7644(6) 0.4430(5) 0.4704(4) 0.0225(13) Uani 1 1 d . . . . .
C15 C 0.8027(6) 0.3540(5) 0.5344(5) 0.0229(13) Uani 1 1 d . . . . .
C16 C 0.7431(7) 0.2236(6) 0.4905(5) 0.0309(15) Uani 1 1 d . . . . .
H16A H 0.7797 0.1737 0.5445 0.046 Uiso 1 1 calc R U . . .
H16B H 0.6429 0.2208 0.4683 0.046 Uiso 1 1 calc R U . . .
H16C H 0.7678 0.1914 0.4302 0.046 Uiso 1 1 calc R U . . .
C17 C 0.8983(6) 0.3889(5) 0.6386(5) 0.0222(13) Uani 1 1 d . . . . .
C18 C 0.9428(6) 0.2906(6) 0.7053(5) 0.0277(14) Uani 1 1 d . . . . .
H18A H 1.0403 0.3112 0.7517 0.033 Uiso 1 1 calc R U . . .
H18B H 0.9374 0.2116 0.6581 0.033 Uiso 1 1 calc R U . . .
C19 C 0.9512(6) 0.5105(5) 0.6794(5) 0.0225(13) Uani 1 1 d . . . . .
C20 C 1.0528(6) 0.5486(6) 0.7901(5) 0.0307(15) Uani 1 1 d . . . . .
H20A H 1.0780 0.6369 0.8046 0.046 Uiso 1 1 calc R U . . .
H20B H 1.0114 0.5297 0.8390 0.046 Uiso 1 1 calc R U . . .
H20C H 1.1351 0.5039 0.7989 0.046 Uiso 1 1 calc R U . . .
C21 C 0.9143(6) 0.5990(5) 0.6148(5) 0.0210(12) Uani 1 1 d . . . . .
C22 C 0.9721(6) 0.7308(5) 0.6580(5) 0.0249(13) Uani 1 1 d . . . . .
H22A H 0.9856 0.7657 0.6014 0.030 Uiso 1 1 calc R U . . .
H22B H 1.0635 0.7320 0.7140 0.030 Uiso 1 1 calc R U . . .
C23 C 0.8242(6) 0.5652(5) 0.5102(5) 0.0220(13) Uani 1 1 d . . . . .
C24 C 0.7958(7) 0.6581(6) 0.4382(5) 0.0317(15) Uani 1 1 d . . . . .
H24A H 0.7310 0.6200 0.3684 0.048 Uiso 1 1 calc R U . . .
H24B H 0.7561 0.7285 0.4666 0.048 Uiso 1 1 calc R U . . .
H24C H 0.8818 0.6858 0.4333 0.048 Uiso 1 1 calc R U . . .
Cd1 Cd 0.26877(5) 0.25463(4) 0.10700(4) 0.02882(16) Uani 1 1 d . . . . .
N1 N 0.3828(5) 0.3030(5) -0.0044(4) 0.0326(13) Uani 1 1 d . . . . .
N2 N 0.6509(6) 0.1084(5) 0.1047(4) 0.0332(13) Uani 1 1 d . . . . .
H2A H 0.7167 0.1148 0.0803 0.040 Uiso 1 1 calc R U . . .
N3 N 0.4548(5) 0.1386(5) 0.1277(4) 0.0309(12) Uani 1 1 d . . . . .
O1 O 0.3958(4) 0.4056(4) 0.2321(3) 0.0336(11) Uani 1 1 d . . . . .
O2 O 0.4493(4) 0.3623(4) 0.4166(3) 0.0279(10) Uani 1 1 d . . . . .
O3 O 0.4784(4) 0.5749(4) 0.3842(3) 0.0269(10) Uani 1 1 d . . . . .
H101 H 0.5020 0.5896 0.4497 0.040 Uiso 1 1 calc R U . . .
O4 O 0.8780(4) 0.1477(4) 0.8215(3) 0.0269(10) Uani 1 1 d . . . . .
O5 O 0.8731(4) 0.3752(4) 0.8741(3) 0.0290(10) Uani 1 1 d . . . . .
O6 O 0.6904(4) 0.2527(4) 0.7100(3) 0.0277(10) Uani 1 1 d . . . . .
H102 H 0.6662 0.3193 0.6910 0.042 Uiso 1 1 calc R U . . .
O7 O 0.8711(4) 0.8008(4) 0.8124(3) 0.0297(10) Uani 1 1 d . . . . .
O8 O 0.9301(4) 0.9575(4) 0.7191(4) 0.0301(10) Uani 1 1 d . . . . .
H103 H 0.8983 1.0093 0.7540 0.045 Uiso 1 1 calc R U . . .
O9 O 0.7201(4) 0.8189(4) 0.6285(3) 0.0289(10) Uani 1 1 d . . . . .
H104 H 0.6791 0.7520 0.6249 0.043 Uiso 1 1 calc R U . . .
O10 O 0.1188(4) 0.3909(4) 0.0376(3) 0.0346(11) Uani 1 1 d . . . . .
H105 H 0.1288 0.4604 0.0736 0.052 Uiso 1 1 d R U . . .
H106 H 0.0402 0.3697 -0.0056 0.052 Uiso 1 1 d R U . . .
O11 O 0.1350(4) 0.1123(4) -0.0378(3) 0.0314(10) Uani 1 1 d . . . . .
H107 H 0.0600 0.1314 -0.0763 0.047 Uiso 1 1 d R U . . .
H108 H 0.1347 0.0400 -0.0307 0.047 Uiso 1 1 d R U . . .
O12 O 0.1287(4) 0.8705(4) 0.9764(3) 0.0306(10) Uani 1 1 d . . . . .
H109 H 0.0516 0.8481 0.9312 0.046 Uiso 1 1 d R U . . .
H110 H 0.1356 0.8675 1.0367 0.046 Uiso 1 1 d R U . . .
P1 P 0.48522(16) 0.43382(15) 0.34524(12) 0.0249(4) Uani 1 1 d . . . . .
P2 P 0.84564(16) 0.26941(14) 0.78546(12) 0.0232(3) Uani 1 1 d . . . . .
P3 P 0.86741(16) 0.82815(14) 0.71054(12) 0.0240(4) 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'
P P 0.1023 0.0942 '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
N1 C1 C2 123.0(6) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 119.4(6) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C2 C3 C4 117.5(7) . . ?
C2 C3 H3 121.2 . . ?
C4 C3 H3 121.2 . . ?
C5 C4 C3 119.0(6) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 123.1(6) . . ?
N1 C5 C6 113.5(5) . . ?
C4 C5 C6 123.3(6) . . ?
N3 C6 N2 112.9(5) . . ?
N3 C6 C5 123.6(5) . . ?
N2 C6 C5 123.5(6) . . ?
C8 C7 C12 123.4(6) . . ?
C8 C7 N2 132.5(6) . . ?
C12 C7 N2 104.1(5) . . ?
C9 C8 C7 115.9(7) . . ?
C9 C8 H8 122.0 . . ?
C7 C8 H8 122.0 . . ?
C8 C9 C10 122.4(7) . . ?
C8 C9 H9 118.8 . . ?
C10 C9 H9 118.8 . . ?
C11 C10 C9 122.2(6) . . ?
C11 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C10 C11 C12 116.4(6) . . ?
C10 C11 H11 121.8 . . ?
C12 C11 H11 121.8 . . ?
C7 C12 N3 110.7(6) . . ?
C7 C12 C11 119.6(6) . . ?
N3 C12 C11 129.6(6) . . ?
C14 C13 P1 115.3(4) . . ?
C14 C13 H13A 108.5 . . ?
P1 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
P1 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C15 C14 C23 119.7(5) . . ?
C15 C14 C13 120.5(5) . . ?
C23 C14 C13 119.7(5) . . ?
C14 C15 C17 119.3(5) . . ?
C14 C15 C16 119.5(5) . . ?
C17 C15 C16 121.2(5) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 C15 120.8(5) . . ?
C19 C17 C18 120.5(5) . . ?
C15 C17 C18 118.6(5) . . ?
C17 C18 P2 116.3(4) . . ?
C17 C18 H18A 108.2 . . ?
P2 C18 H18A 108.2 . . ?
C17 C18 H18B 108.2 . . ?
P2 C18 H18B 108.2 . . ?
H18A C18 H18B 107.4 . . ?
C17 C19 C21 119.7(5) . . ?
C17 C19 C20 121.3(5) . . ?
C21 C19 C20 119.0(5) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C21 C19 120.2(5) . . ?
C23 C21 C22 119.7(5) . . ?
C19 C21 C22 120.1(5) . . ?
C21 C22 P3 115.0(4) . . ?
C21 C22 H22A 108.5 . . ?
P3 C22 H22A 108.5 . . ?
C21 C22 H22B 108.5 . . ?
P3 C22 H22B 108.5 . . ?
H22A C22 H22B 107.5 . . ?
C21 C23 C14 120.0(5) . . ?
C21 C23 C24 119.9(5) . . ?
C14 C23 C24 120.1(5) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 Cd1 O10 89.41(16) . . ?
O1 Cd1 O7 98.51(16) . 2_666 ?
O10 Cd1 O7 89.71(16) . 2_666 ?
O1 Cd1 N3 91.65(18) . . ?
O10 Cd1 N3 156.17(18) . . ?
O7 Cd1 N3 113.64(17) 2_666 . ?
O1 Cd1 O11 173.04(16) . . ?
O10 Cd1 O11 85.84(15) . . ?
O7 Cd1 O11 86.57(16) 2_666 . ?
N3 Cd1 O11 90.64(17) . . ?
O1 Cd1 N1 89.59(18) . . ?
O10 Cd1 N1 85.18(17) . . ?
O7 Cd1 N1 170.39(17) 2_666 . ?
N3 Cd1 N1 71.02(18) . . ?
O11 Cd1 N1 84.94(17) . . ?
C5 N1 C1 117.9(6) . . ?
C5 N1 Cd1 116.5(4) . . ?
C1 N1 Cd1 125.5(5) . . ?
C6 N2 C7 107.2(5) . . ?
C6 N2 H2A 126.4 . . ?
C7 N2 H2A 126.4 . . ?
C6 N3 C12 105.1(5) . . ?
C6 N3 Cd1 114.8(4) . . ?
C12 N3 Cd1 139.2(4) . . ?
P1 O1 Cd1 142.1(3) . . ?
P1 O3 H101 109.5 . . ?
P2 O6 H102 109.5 . . ?
P3 O7 Cd1 141.8(3) . 2_666 ?
P3 O8 H103 109.5 . . ?
P3 O9 H104 109.5 . . ?
Cd1 O10 H105 117.0 . . ?
Cd1 O10 H106 122.8 . . ?
H105 O10 H106 115.0 . . ?
Cd1 O11 H107 118.6 . . ?
Cd1 O11 H108 116.6 . . ?
H107 O11 H108 114.0 . . ?
H109 O12 H110 114.7 . . ?
O1 P1 O2 116.8(3) . . ?
O1 P1 O3 106.5(2) . . ?
O2 P1 O3 108.7(2) . . ?
O1 P1 C13 109.6(3) . . ?
O2 P1 C13 107.4(3) . . ?
O3 P1 C13 107.6(3) . . ?
O5 P2 O4 113.0(2) . . ?
O5 P2 O6 111.8(2) . . ?
O4 P2 O6 105.9(2) . . ?
O5 P2 C18 111.6(3) . . ?
O4 P2 C18 108.1(3) . . ?
O6 P2 C18 106.0(3) . . ?
O7 P3 O9 112.5(3) . . ?
O7 P3 O8 113.9(3) . . ?
O9 P3 O8 105.8(2) . . ?
O7 P3 C22 111.8(3) . . ?
O9 P3 C22 109.9(3) . . ?
O8 P3 C22 102.4(3) . . ?
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
C1 N1 1.332(8) . ?
C1 C2 1.377(9) . ?
C1 H1 0.9500 . ?
C2 C3 1.371(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.403(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(9) . ?
C4 H4 0.9500 . ?
C5 N1 1.325(8) . ?
C5 C6 1.480(8) . ?
C6 N3 1.308(8) . ?
C6 N2 1.350(8) . ?
C7 C8 1.378(9) . ?
C7 C12 1.383(9) . ?
C7 N2 1.401(8) . ?
C8 C9 1.368(10) . ?
C8 H8 0.9500 . ?
C9 C10 1.396(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.356(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.434(9) . ?
C11 H11 0.9500 . ?
C12 N3 1.383(8) . ?
C13 C14 1.503(8) . ?
C13 P1 1.807(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.411(8) . ?
C14 C23 1.419(8) . ?
C15 C17 1.415(8) . ?
C15 C16 1.504(8) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.395(8) . ?
C17 C18 1.524(8) . ?
C18 P2 1.806(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C21 1.411(8) . ?
C19 C20 1.506(8) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C23 1.401(8) . ?
C21 C22 1.513(8) . ?
C22 P3 1.803(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.520(8) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Cd1 O1 2.210(4) . ?
Cd1 O10 2.270(4) . ?
Cd1 O7 2.284(4) 2_666 ?
Cd1 N3 2.307(5) . ?
Cd1 O11 2.310(4) . ?
Cd1 N1 2.402(5) . ?
N2 H2A 0.8800 . ?
O1 P1 1.489(4) . ?
O2 P1 1.518(4) . ?
O3 P1 1.579(4) . ?
O3 H101 0.8400 . ?
O4 P2 1.522(4) . ?
O5 P2 1.491(4) . ?
O6 P2 1.572(4) . ?
O6 H102 0.8400 . ?
O7 P3 1.492(4) . ?
O7 Cd1 2.284(4) 2_666 ?
O8 P3 1.542(4) . ?
O8 H103 0.8400 . ?
O9 P3 1.541(4) . ?
O9 H104 0.8400 . ?
O10 H105 0.8286 . ?
O10 H106 0.8276 . ?
O11 H107 0.8292 . ?
O11 H108 0.8266 . ?
O12 H109 0.8270 . ?
O12 H110 0.8240 . ?
