#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:25:46 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179578 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/43/4504307.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_4504307
loop_
_publ_author_name
'Du, Zi-Yi'
'Li, Xiu-Ling'
'Liu, Qing-Yan'
'Mao, Jiang-Gao'
_publ_section_title
;
 Novel Cadmium(II) Phosphonatophenylsulfonate Cluster Compounds: 
 Syntheses, Structures, and Luminescent Properties
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1501
_journal_paper_doi               10.1021/cg070280v
_journal_volume                  7
_journal_year                    2007
_chemical_formula_sum            'C84 H88 Cd4 Cl2 N12 O28 P2 S2'
_chemical_formula_weight         2360.22
_chemical_name_systematic
; 
 ? 
;
_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           SHELXL-97
_cell_angle_alpha                69.0410(10)
_cell_angle_beta                 69.7160(10)
_cell_angle_gamma                84.2640(10)
_cell_formula_units_Z            1
_cell_length_a                   11.6702(6)
_cell_length_b                   13.9160(7)
_cell_length_c                   16.0247(8)
_cell_measurement_temperature    293(2)
_cell_volume                     2278.7(2)
_computing_cell_refinement       'Saturn 70 CCD'
_computing_data_collection       'Saturn 70 CCD'
_computing_data_reduction        'Saturn 70 CCD'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Saturn 70 CCD'
_diffrn_measurement_method       'narrow frame method'
_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  0.0219
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17299
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.147
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9098
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         10057
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0330P)²+4.8369P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                8735
_reflns_number_total             10057
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg070280vsi20070323_084607.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504307
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
Cd1 Cd 0.02885(2) 0.982498(16) 0.385787(15) 0.02273(7) Uani 1 1 d .
Cd2 Cd -0.09275(2) 1.194833(17) 0.186154(15) 0.02289(7) Uani 1 1 d .
Cl1 Cl 0.24744(9) 1.01620(8) 0.29037(7) 0.0434(2) Uani 1 1 d .
S1 S 0.44234(8) 1.35409(7) 0.23269(8) 0.0425(2) Uani 1 1 d .
P1 P -0.03770(7) 1.20256(6) 0.38589(5) 0.01861(15) Uani 1 1 d .
N1 N 0.0203(3) 0.8370(2) 0.3426(2) 0.0304(6) Uani 1 1 d .
N2 N -0.1733(3) 0.9326(2) 0.43331(19) 0.0284(6) Uani 1 1 d .
N3 N -0.2302(3) 1.0646(2) 0.2129(2) 0.0306(6) Uani 1 1 d .
N4 N 0.0165(3) 1.0554(3) 0.1372(2) 0.0401(8) Uani 1 1 d .
N5 N -0.1497(3) 1.3133(2) 0.05849(19) 0.0291(6) Uani 1 1 d .
N6 N 0.0756(3) 1.3056(2) 0.0742(2) 0.0334(6) Uani 1 1 d .
C1 C 0.0805(3) 1.2886(2) 0.3721(2) 0.0213(6) Uani 1 1 d .
C2 C 0.2029(3) 1.2829(2) 0.3188(2) 0.0247(6) Uani 1 1 d .
H2A H 0.2260 1.2346 0.2886 0.030 Uiso 1 1 calc R
C3 C 0.2898(3) 1.3497(2) 0.3113(3) 0.0309(7) Uani 1 1 d .
C4 C 0.2575(3) 1.4209(3) 0.3585(3) 0.0405(9) Uani 1 1 d .
H4A H 0.3169 1.4648 0.3530 0.049 Uiso 1 1 calc R
C5 C 0.1378(3) 1.4261(3) 0.4130(3) 0.0382(9) Uani 1 1 d .
H5A H 0.1161 1.4723 0.4455 0.046 Uiso 1 1 calc R
C6 C 0.0494(3) 1.3611(2) 0.4189(2) 0.0274(7) Uani 1 1 d .
H6A H -0.0317 1.3657 0.4544 0.033 Uiso 1 1 calc R
C7 C -0.2650(3) 0.9731(3) 0.4854(2) 0.0338(8) Uani 1 1 d .
H7A H -0.2496 1.0311 0.4963 0.041 Uiso 1 1 calc R
C8 C -0.3838(4) 0.9319(4) 0.5244(3) 0.0461(10) Uani 1 1 d .
H8A H -0.4457 0.9608 0.5623 0.055 Uiso 1 1 calc R
C9 C -0.4087(4) 0.8481(4) 0.5065(3) 0.0490(11) Uani 1 1 d .
H9A H -0.4882 0.8215 0.5304 0.059 Uiso 1 1 calc R
C10 C -0.3142(4) 0.8029(3) 0.4523(3) 0.0435(10) Uani 1 1 d .
C11 C -0.3305(5) 0.7124(4) 0.4306(4) 0.0623(14) Uani 1 1 d .
H11A H -0.4087 0.6849 0.4499 0.075 Uiso 1 1 calc R
C12 C -0.2350(6) 0.6683(4) 0.3834(4) 0.0646(15) Uani 1 1 d .
H12A H -0.2485 0.6115 0.3700 0.078 Uiso 1 1 calc R
C13 C -0.1137(5) 0.7066(3) 0.3536(3) 0.0479(11) Uani 1 1 d .
C14 C -0.0095(5) 0.6581(3) 0.3107(4) 0.0606(14) Uani 1 1 d .
H14A H -0.0188 0.5983 0.3000 0.073 Uiso 1 1 calc R
C15 C 0.1030(5) 0.6975(3) 0.2853(3) 0.0550(12) Uani 1 1 d .
H15A H 0.1718 0.6656 0.2572 0.066 Uiso 1 1 calc R
C16 C 0.1149(4) 0.7890(3) 0.3023(3) 0.0399(9) Uani 1 1 d .
H16A H 0.1929 0.8164 0.2843 0.048 Uiso 1 1 calc R
C17 C -0.0928(4) 0.7970(3) 0.3690(3) 0.0354(8) Uani 1 1 d .
C18 C -0.1954(3) 0.8462(3) 0.4183(2) 0.0312(7) Uani 1 1 d .
C19 C -0.3500(4) 1.0688(3) 0.2491(3) 0.0406(9) Uani 1 1 d .
H19A H -0.3824 1.1229 0.2706 0.049 Uiso 1 1 calc R
C20 C -0.4310(5) 0.9955(4) 0.2568(3) 0.0598(13) Uani 1 1 d .
H20A H -0.5150 1.0015 0.2825 0.072 Uiso 1 1 calc R
C21 C -0.3848(6) 0.9149(4) 0.2260(4) 0.0712(18) Uani 1 1 d .
H21A H -0.4375 0.8659 0.2306 0.085 Uiso 1 1 calc R
C22 C -0.2595(6) 0.9068(3) 0.1880(3) 0.0586(15) Uani 1 1 d .
C23 C -0.2027(9) 0.8253(4) 0.1517(5) 0.094(3) Uani 1 1 d .
H23A H -0.2518 0.7756 0.1531 0.113 Uiso 1 1 calc R
C24 C -0.0841(10) 0.8207(4) 0.1172(5) 0.106(3) Uani 1 1 d .
H24A H -0.0506 0.7660 0.0971 0.128 Uiso 1 1 calc R
C25 C -0.0037(6) 0.8975(4) 0.1092(3) 0.0732(19) Uani 1 1 d .
C26 C 0.1224(9) 0.8957(6) 0.0697(4) 0.105(3) Uani 1 1 d .
H26A H 0.1584 0.8439 0.0460 0.126 Uiso 1 1 calc R
C27 C 0.1928(7) 0.9705(6) 0.0657(3) 0.092(3) Uani 1 1 d .
H27A H 0.2775 0.9691 0.0407 0.111 Uiso 1 1 calc R
C28 C 0.1367(4) 1.0510(4) 0.1001(3) 0.0586(14) Uani 1 1 d .
H28A H 0.1859 1.1021 0.0963 0.070 Uiso 1 1 calc R
C29 C -0.0546(5) 0.9797(3) 0.1423(3) 0.0466(11) Uani 1 1 d .
C30 C -0.1837(4) 0.9846(3) 0.1820(3) 0.0394(9) Uani 1 1 d .
C31 C -0.2604(4) 1.3200(3) 0.0531(3) 0.0452(10) Uani 1 1 d .
H31A H -0.3228 1.2784 0.1040 0.054 Uiso 1 1 calc R
C32 C -0.2885(5) 1.3874(5) -0.0266(3) 0.0713(17) Uani 1 1 d .
H32A H -0.3680 1.3903 -0.0277 0.086 Uiso 1 1 calc R
C33 C -0.1975(5) 1.4486(4) -0.1024(3) 0.0669(16) Uani 1 1 d .
H33A H -0.2148 1.4926 -0.1557 0.080 Uiso 1 1 calc R
C34 C -0.0787(4) 1.4451(3) -0.0998(2) 0.0431(10) Uani 1 1 d .
C35 C 0.0235(5) 1.5069(3) -0.1768(3) 0.0510(12) Uani 1 1 d .
H35A H 0.0107 1.5523 -0.2315 0.061 Uiso 1 1 calc R
C36 C 0.1340(5) 1.4999(3) -0.1708(3) 0.0482(11) Uani 1 1 d .
H36A H 0.1982 1.5390 -0.2219 0.058 Uiso 1 1 calc R
C37 C 0.1571(4) 1.4325(3) -0.0862(3) 0.0393(9) Uani 1 1 d .
C38 C 0.2704(5) 1.4250(4) -0.0753(3) 0.0603(13) Uani 1 1 d .
H38A H 0.3368 1.4631 -0.1247 0.072 Uiso 1 1 calc R
C39 C 0.2857(4) 1.3613(5) 0.0084(3) 0.0708(16) Uani 1 1 d .
H39A H 0.3616 1.3572 0.0162 0.085 Uiso 1 1 calc R
C40 C 0.1845(4) 1.3022(4) 0.0825(3) 0.0530(12) Uani 1 1 d .
H40A H 0.1952 1.2596 0.1389 0.064 Uiso 1 1 calc R
C41 C 0.0607(3) 1.3706(2) -0.0082(2) 0.0290(7) Uani 1 1 d .
C42 C -0.0587(3) 1.3762(2) -0.0159(2) 0.0289(7) Uani 1 1 d .
O1 O -0.0048(2) 1.17423(17) 0.29511(15) 0.0252(5) Uani 1 1 d .
O2 O -0.0339(2) 1.10166(16) 0.46632(15) 0.0256(5) Uani 1 1 d .
O3 O -0.15661(19) 1.25645(17) 0.40795(15) 0.0251(5) Uani 1 1 d .
O4 O 0.4549(3) 1.2656(3) 0.2018(3) 0.0806(13) Uani 1 1 d .
O5 O 0.4570(3) 1.4530(2) 0.1557(2) 0.0490(7) Uani 1 1 d .
O6 O 0.5209(3) 1.3492(3) 0.2878(2) 0.0648(10) Uani 1 1 d .
O1W O -0.2615(2) 1.24873(19) 0.28931(17) 0.0321(5) Uani 1 1 d .
O2W O 0.4257(6) 1.0139(5) 0.0801(5) 0.0597(17) Uani 0.50 1 d P
O3W O -0.4353(5) 1.1879(4) 0.0284(4) 0.0460(13) Uani 0.50 1 d P
O3W' O -0.5747(10) 1.1671(6) 0.1089(6) 0.090(3) Uani 0.50 1 d P
O4W O -0.5415(8) 0.6765(5) 0.3008(6) 0.0635(19) Uani 0.50 1 d P
O4W' O -0.5875(7) 0.6470(5) 0.3700(5) 0.0543(16) Uani 0.50 1 d P
O5W O -0.5228(9) 1.1737(6) -0.0734(6) 0.084(2) Uani 0.50 1 d P
O6W O 0.3966(7) 0.6492(6) 0.2032(5) 0.0566(18) Uani 0.50 1 d P
O6W' O 0.4100(7) 0.6598(6) 0.1497(5) 0.0497(16) Uani 0.50 1 d P
O7W O 0.4143(10) 1.5145(8) -0.3800(8) 0.063(2) Uani 0.50 1 d P
O7W' O 0.4243(10) 1.5052(9) -0.3380(7) 0.069(3) Uani 0.50 1 d P
O8W O -0.2606(6) 0.4332(4) 0.4357(5) 0.0479(14) Uani 0.50 1 d P
O8W' O -0.2962(10) 0.3745(10) 0.5110(8) 0.111(4) Uani 0.50 1 d P
O9W O -0.3450(4) 1.1774(4) 0.5814(4) 0.1042(15) 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'
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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 '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
O2 Cd1 N2 90.87(9) 2_576 .
O2 Cd1 O2 74.12(8) 2_576 .
N2 Cd1 O2 88.95(9) . .
O2 Cd1 N1 98.53(8) 2_576 .
N2 Cd1 N1 71.34(10) . .
O2 Cd1 N1 159.06(9) . .
O2 Cd1 Cl1 102.62(6) 2_576 .
N2 Cd1 Cl1 160.33(7) . .
O2 Cd1 Cl1 108.35(6) . .
N1 Cd1 Cl1 92.30(8) . .
O2 Cd1 O1 133.01(7) 2_576 .
N2 Cd1 O1 94.40(9) . .
O2 Cd1 O1 59.37(7) . .
N1 Cd1 O1 127.33(8) . .
Cl1 Cd1 O1 86.86(6) . .
O2 Cd1 P1 102.98(6) 2_576 .
N2 Cd1 P1 92.69(7) . .
O2 Cd1 P1 29.17(5) . .
N1 Cd1 P1 153.39(7) . .
Cl1 Cd1 P1 98.04(3) . .
O1 Cd1 P1 30.22(5) . .
O1 Cd2 O1W 84.78(8) . .
O1 Cd2 N3 118.33(9) . .
O1W Cd2 N3 84.02(10) . .
O1 Cd2 N6 87.39(9) . .
O1W Cd2 N6 123.25(10) . .
N3 Cd2 N6 145.55(10) . .
O1 Cd2 N5 146.32(9) . .
O1W Cd2 N5 87.61(9) . .
N3 Cd2 N5 93.33(10) . .
N6 Cd2 N5 69.70(10) . .
O1 Cd2 N4 93.98(9) . .
O1W Cd2 N4 148.76(11) . .
N3 Cd2 N4 69.09(12) . .
N6 Cd2 N4 87.78(11) . .
N5 Cd2 N4 108.88(9) . .
O6 S1 O5 111.36(19) . .
O6 S1 O4 112.7(2) . .
O5 S1 O4 113.6(2) . .
O6 S1 C3 105.71(19) . .
O5 S1 C3 105.71(16) . .
O4 S1 C3 107.13(17) . .
O3 P1 O2 113.13(13) . .
O3 P1 O1 114.09(12) . .
O2 P1 O1 106.08(12) . .
O3 P1 C1 106.79(13) . .
O2 P1 C1 106.96(13) . .
O1 P1 C1 109.57(14) . .
O3 P1 Cd1 133.44(9) . .
O2 P1 Cd1 48.47(8) . .
O1 P1 Cd1 57.66(8) . .
C1 P1 Cd1 119.25(10) . .
C16 N1 C17 118.4(3) . .
C16 N1 Cd1 126.2(3) . .
C17 N1 Cd1 115.3(2) . .
C7 N2 C18 119.0(3) . .
C7 N2 Cd1 123.5(2) . .
C18 N2 Cd1 116.7(2) . .
C19 N3 C30 117.9(3) . .
C19 N3 Cd2 123.7(2) . .
C30 N3 Cd2 118.1(3) . .
C28 N4 C29 118.2(4) . .
C28 N4 Cd2 125.8(3) . .
C29 N4 Cd2 115.8(3) . .
C31 N5 C42 118.3(3) . .
C31 N5 Cd2 124.8(3) . .
C42 N5 Cd2 116.8(2) . .
C40 N6 C41 118.1(3) . .
C40 N6 Cd2 124.6(3) . .
C41 N6 Cd2 117.0(2) . .
C2 C1 C6 118.6(3) . .
C2 C1 P1 121.9(2) . .
C6 C1 P1 119.5(2) . .
C3 C2 C1 119.6(3) . .
C2 C3 C4 121.1(3) . .
C2 C3 S1 120.2(3) . .
C4 C3 S1 118.5(3) . .
C5 C4 C3 120.1(3) . .
C4 C5 C6 119.3(3) . .
C5 C6 C1 121.4(3) . .
N2 C7 C8 122.3(4) . .
C9 C8 C7 119.5(4) . .
C8 C9 C10 119.8(4) . .
C9 C10 C18 117.6(4) . .
C9 C10 C11 124.1(4) . .
C18 C10 C11 118.2(4) . .
C12 C11 C10 121.5(4) . .
C11 C12 C13 121.2(4) . .
C14 C13 C12 123.4(4) . .
C14 C13 C17 116.9(4) . .
C12 C13 C17 119.7(4) . .
C15 C14 C13 120.5(4) . .
C14 C15 C16 118.7(4) . .
N1 C16 C15 123.1(4) . .
N1 C17 C13 122.5(4) . .
N1 C17 C18 118.0(3) . .
C13 C17 C18 119.4(4) . .
N2 C18 C10 121.7(4) . .
N2 C18 C17 118.6(3) . .
C10 C18 C17 119.7(3) . .
N3 C19 C20 123.1(4) . .
C21 C20 C19 119.2(5) . .
C20 C21 C22 119.8(4) . .
C21 C22 C30 117.5(4) . .
C21 C22 C23 123.5(5) . .
C30 C22 C23 118.9(6) . .
C24 C23 C22 121.1(6) . .
C23 C24 C25 122.0(5) . .
C26 C25 C29 118.2(6) . .
C26 C25 C24 122.7(6) . .
C29 C25 C24 119.1(6) . .
C27 C26 C25 119.4(5) . .
C26 C27 C28 119.9(6) . .
N4 C28 C27 122.1(6) . .
N4 C29 C25 122.2(5) . .
N4 C29 C30 118.3(3) . .
C25 C29 C30 119.5(5) . .
N3 C30 C22 122.4(4) . .
N3 C30 C29 118.3(3) . .
C22 C30 C29 119.3(4) . .
N5 C31 C32 122.9(4) . .
C33 C32 C31 119.2(5) . .
C32 C33 C34 120.1(4) . .
C33 C34 C42 117.0(4) . .
C33 C34 C35 123.9(4) . .
C42 C34 C35 119.1(4) . .
C36 C35 C34 121.3(4) . .
C35 C36 C37 121.1(4) . .
C38 C37 C41 116.6(4) . .
C38 C37 C36 123.2(4) . .
C41 C37 C36 120.2(4) . .
C39 C38 C37 120.4(4) . .
C38 C39 C40 119.3(5) . .
N6 C40 C39 122.2(4) . .
N6 C41 C37 123.4(4) . .
N6 C41 C42 117.9(3) . .
C37 C41 C42 118.6(3) . .
N5 C42 C34 122.5(4) . .
N5 C42 C41 117.9(3) . .
C34 C42 C41 119.6(3) . .
P1 O1 Cd2 135.22(13) . .
P1 O1 Cd1 92.12(10) . .
Cd2 O1 Cd1 113.86(9) . .
P1 O2 Cd1 150.49(13) . 2_576
P1 O2 Cd1 102.36(11) . .
Cd1 O2 Cd1 105.88(8) 2_576 .
P1 O3 O8W 143.69(18) . 1_565
P1 O3 O9W 121.52(16) . .
O8W O3 O9W 78.33(18) 1_565 .
S1 O5 O6W' 133.7(2) . 1_565
S1 O6 O7W' 128.8(3) . 2_685
O5W O2W O3W 50.2(3) 1_655 1_655
O5W O2W O5W 119.7(3) 1_655 2_575
O3W O2W O5W 123.9(3) 1_655 2_575
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O2 2.256(2) 2_576
Cd1 N2 2.310(3) .
Cd1 O2 2.363(2) .
Cd1 N1 2.383(3) .
Cd1 Cl1 2.4672(10) .
Cd1 O1 2.607(2) .
Cd1 P1 3.0836(8) .
Cd2 O1 2.238(2) .
Cd2 O1W 2.347(2) .
Cd2 N3 2.364(3) .
Cd2 N6 2.374(3) .
Cd2 N5 2.378(3) .
Cd2 N4 2.430(3) .
S1 O6 1.460(3) .
S1 O5 1.460(3) .
S1 O4 1.460(4) .
S1 C3 1.781(4) .
P1 O3 1.502(2) .
P1 O2 1.539(2) .
P1 O1 1.553(2) .
P1 C1 1.821(3) .
N1 C16 1.322(5) .
N1 C17 1.350(5) .
N2 C7 1.325(5) .
N2 C18 1.371(4) .
N3 C19 1.320(5) .
N3 C30 1.367(4) .
N4 C28 1.324(6) .
N4 C29 1.368(6) .
N5 C31 1.316(5) .
N5 C42 1.370(4) .
N6 C40 1.317(5) .
N6 C41 1.367(4) .
C1 C2 1.399(4) .
C1 C6 1.411(4) .
C2 C3 1.390(4) .
C3 C4 1.399(5) .
C4 C5 1.378(5) .
C5 C6 1.396(5) .
C7 C8 1.394(5) .
C8 C9 1.376(6) .
C9 C10 1.397(7) .
C10 C18 1.411(5) .
C10 C11 1.468(6) .
C11 C12 1.342(8) .
C12 C13 1.420(7) .
C13 C14 1.413(7) .
C13 C17 1.423(5) .
C14 C15 1.343(7) .
C15 C16 1.424(5) .
C17 C18 1.447(5) .
C19 C20 1.403(5) .
C20 C21 1.373(8) .
C21 C22 1.386(8) .
C22 C30 1.422(6) .
C22 C23 1.455(8) .
C23 C24 1.305(11) .
C24 C25 1.435(10) .
C25 C26 1.387(11) .
C25 C29 1.423(5) .
C26 C27 1.361(11) .
C27 C28 1.425(7) .
C29 C30 1.423(6) .
C31 C32 1.411(5) .
C32 C33 1.369(7) .
C33 C34 1.397(7) .
C34 C42 1.425(5) .
C34 C35 1.452(6) .
C35 C36 1.318(7) .
C36 C37 1.443(6) .
C37 C38 1.383(7) .
C37 C41 1.420(5) .
C38 C39 1.379(7) .
C39 C40 1.416(6) .
C41 C42 1.433(5) .
O2 Cd1 2.256(2) 2_576
O3 O8W 2.745(6) 1_565
O3 O9W 2.798(5) .
O5 O6W' 2.848(8) 1_565
O6 O7W' 2.636(12) 2_685
O2W O5W 2.585(11) 1_655
O2W O3W 2.757(9) 1_655
O2W O5W 2.763(11) 2_575
O3W O3W' 1.663(11) .
O4W O4W' 0.996(9) .
O5W O6W 2.739(11) 2_575
O6W O6W' 0.775(7) .
O7W O7W' 0.687(10) .
O8W O8W' 1.146(12) .
