#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:39:29 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257651 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/92/7059276.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_7059276
loop_
_publ_author_name
'Elamathi, C.'
'Fronczek, Frank R.'
'Madankumar, A.'
'Prabhakaran, R.'
_publ_section_title
;
 Synthesis and spectral characterizations of water soluble Cu(ii)
 complexes containing N-heterocyclic chelates: cell-proliferation,
 antioxidant and nucleic acid/serum albumin interactions
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4158
_journal_page_last               4170
_journal_paper_doi               10.1039/C9NJ04136B
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         Cd4(SeO3)2Cl4(H2O)
_chemical_formula_sum            'Cd4 Cl4 H2 O7 Se2'
_chemical_formula_weight         863.38
_chemical_melting_point          ?
_chemical_name_common            Cd4(SeO3)2Cl4(H2O)
_chemical_name_systematic
;
'Cd4(SeO3)2Cl4(H2O)'
;
_space_group_IT_number           69
_space_group_name_Hall           '-F 2 2'
_space_group_name_H-M_alt        'F m m m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'F m m m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.ccxr9rp
_audit_creation_method           SHELXL-97
_audit_update_record
;
2011-12-02 deposited with the CCDC.	2020-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.5165(4)
_cell_length_b                   17.5090(9)
_cell_length_c                   7.3318(5)
_cell_measurement_reflns_used    3038
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.0132
_cell_volume                     1991.89(18)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode generator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3197
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    16.820
_exptl_absorpt_correction_T_max  0.510
_exptl_absorpt_correction_T_min  0.321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3088
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.092
_refine_diff_density_min         -2.245
_refine_diff_density_rms         0.410
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     54
_refine_ls_number_reflns         525
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0427
_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)+(0.0652P)²+390.1592P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1221
_reflns_number_gt                522
_reflns_number_total             525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9nj04136b2.cif
_cod_data_source_block           2010-0065(420754)
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'ORTHORHOMBIC' was changed
to 'orthorhombic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7059276--7059305.cif.

 Adding full bibliography for 7059276--7059305.cif.
;
_cod_original_sg_symbol_H-M      Fmmm
_cod_original_formula_sum        'Cd4 Cl4 H2 O7 Se2 '
_cod_database_code               7059276
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+1/2, -y, -z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'x, -y+1/2, z+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, 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 -0.391113(15) 0.107615(15) 0.0000 0.00688(6) Uani 1 2 d S
Cd2 Cd -0.5000 0.2500 -0.2500 0.00426(8) Uani 1 4 d S
Cd3 Cd -0.2500 0.2500 0.2500 0.00593(8) Uani 1 4 d S
Se1 Se -0.15897(2) 0.122620(18) 0.0000 0.00419(8) Uani 1 2 d S
Cl1 Cl -0.30717(11) 0.0000 -0.1657(3) 0.0515(5) Uani 1 2 d S
Cl2 Cl -0.45143(11) 0.0000 0.2140(2) 0.0528(5) Uani 1 2 d S
O1 O -0.26065(17) 0.16348(13) 0.0000 0.0122(7) Uani 1 2 d S
O2 O -0.12049(10) 0.17030(11) 0.1815(3) 0.0093(5) Uani 1 1 d .
O1W O -0.5000 0.18304(19) 0.0000 0.0071(9) Uani 1 4 d SD
H1WA H -0.55492(18) 0.1662(5) 0.0000 0.016(12) Uiso 1 2 d SD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
O O 0.0106 0.0060 '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'
Se Se -0.0929 2.2259 '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
O1W Cd1 O1 116.20(9) . .
O1W Cd1 O2 78.08(5) . 12_455
O1 Cd1 O2 75.68(4) . 12_455
O1W Cd1 O2 78.08(5) . 27_454
O1 Cd1 O2 75.68(4) . 27_454
O2 Cd1 O2 129.06(8) 12_455 27_454
O1W Cd1 Cl1 147.49(5) . 18
O1 Cd1 Cl1 82.18(6) . 18
O2 Cd1 Cl1 81.39(5) 12_455 18
O2 Cd1 Cl1 134.14(5) 27_454 18
O1W Cd1 Cl1 147.49(5) . .
O1 Cd1 Cl1 82.18(6) . .
O2 Cd1 Cl1 134.14(5) 12_455 .
O2 Cd1 Cl1 81.39(5) 27_454 .
Cl1 Cd1 Cl1 55.89(7) 18 .
O1W Cd1 Cl2 99.28(6) . 18
O1 Cd1 Cl2 129.30(5) . 18
O2 Cd1 Cl2 150.37(5) 12_455 18
O2 Cd1 Cl2 77.86(5) 27_454 18
Cl1 Cd1 Cl2 86.42(4) 18 18
Cl1 Cd1 Cl2 51.48(5) . 18
O1W Cd1 Cl2 99.28(6) . .
O1 Cd1 Cl2 129.30(5) . .
O2 Cd1 Cl2 77.86(5) 12_455 .
O2 Cd1 Cl2 150.37(5) 27_454 .
Cl1 Cd1 Cl2 51.48(5) 18 .
Cl1 Cd1 Cl2 86.42(4) . .
Cl2 Cd1 Cl2 73.43(7) 18 .
O1W Cd1 Cd1 38.01(7) . 19_455
O1 Cd1 Cd1 154.21(6) . 19_455
O2 Cd1 Cd1 93.99(3) 12_455 19_455
O2 Cd1 Cd1 93.99(3) 27_454 19_455
Cl1 Cd1 Cd1 120.15(3) 18 19_455
Cl1 Cd1 Cd1 120.15(3) . 19_455
Cl2 Cd1 Cd1 69.11(4) 18 19_455
Cl2 Cd1 Cd1 69.11(4) . 19_455
O1W Cd1 Cd2 35.61(3) . 6_455
O1 Cd1 Cd2 97.11(5) . 6_455
O2 Cd1 Cd2 42.60(4) 12_455 6_455
O2 Cd1 Cd2 101.69(4) 27_454 6_455
Cl1 Cd1 Cd2 120.73(4) 18 6_455
Cl1 Cd1 Cd2 176.59(4) . 6_455
Cl2 Cd1 Cd2 130.36(4) 18 6_455
Cl2 Cd1 Cd2 91.49(3) . 6_455
Cd1 Cd1 Cd2 61.365(4) 19_455 6_455
O1W Cd1 Cd2 35.61(3) . .
O1 Cd1 Cd2 97.11(5) . .
O2 Cd1 Cd2 101.69(4) 12_455 .
O2 Cd1 Cd2 42.60(4) 27_454 .
Cl1 Cd1 Cd2 176.59(4) 18 .
Cl1 Cd1 Cd2 120.73(4) . .
Cl2 Cd1 Cd2 91.49(3) 18 .
Cl2 Cd1 Cd2 130.36(4) . .
Cd1 Cd1 Cd2 61.365(4) 19_455 .
Cd2 Cd1 Cd2 62.652(6) 6_455 .
O1W Cd1 Cd1 128.01(7) . 3
O1 Cd1 Cd1 115.79(6) . 3
O2 Cd1 Cd1 115.11(4) 12_455 3
O2 Cd1 Cd1 115.11(4) 27_454 3
Cl1 Cd1 Cd1 43.39(3) 18 3
Cl1 Cd1 Cd1 43.39(3) . 3
Cl2 Cd1 Cd1 44.11(3) 18 3
Cl2 Cd1 Cd1 44.11(3) . 3
Cd1 Cd1 Cd1 90.0 19_455 3
Cd2 Cd1 Cd1 135.002(4) 6_455 3
Cd2 Cd1 Cd1 135.002(4) . 3
O1W Cd2 O1W 180.00(14) 21_454 .
O1W Cd2 O2 82.07(6) 21_454 29_455
O1W Cd2 O2 97.93(6) . 29_455
O1W Cd2 O2 97.93(6) 21_454 9_454
O1W Cd2 O2 82.07(6) . 9_454
O2 Cd2 O2 180.0 29_455 9_454
O1W Cd2 O2 97.93(6) 21_454 27_454
O1W Cd2 O2 82.07(6) . 27_454
O2 Cd2 O2 76.85(8) 29_455 27_454
O2 Cd2 O2 103.15(8) 9_454 27_454
O1W Cd2 O2 82.07(6) 21_454 15_455
O1W Cd2 O2 97.93(6) . 15_455
O2 Cd2 O2 103.15(8) 29_455 15_455
O2 Cd2 O2 76.85(8) 9_454 15_455
O2 Cd2 O2 180.00(9) 27_454 15_455
O1W Cd2 Cd1 144.99(4) 21_454 .
O1W Cd2 Cd1 35.01(4) . .
O2 Cd2 Cd1 85.91(4) 29_455 .
O2 Cd2 Cd1 94.09(4) 9_454 .
O2 Cd2 Cd1 47.19(5) 27_454 .
O2 Cd2 Cd1 132.81(5) 15_455 .
O1W Cd2 Cd1 144.99(4) 21_454 19_455
O1W Cd2 Cd1 35.01(4) . 19_455
O2 Cd2 Cd1 132.81(5) 29_455 19_455
O2 Cd2 Cd1 47.19(5) 9_454 19_455
O2 Cd2 Cd1 94.09(4) 27_454 19_455
O2 Cd2 Cd1 85.91(4) 15_455 19_455
Cd1 Cd2 Cd1 57.270(8) . 19_455
O1W Cd2 Cd1 35.01(4) 21_454 7_554
O1W Cd2 Cd1 144.99(4) . 7_554
O2 Cd2 Cd1 47.19(5) 29_455 7_554
O2 Cd2 Cd1 132.81(5) 9_454 7_554
O2 Cd2 Cd1 85.91(4) 27_454 7_554
O2 Cd2 Cd1 94.09(4) 15_455 7_554
Cd1 Cd2 Cd1 122.730(8) . 7_554
Cd1 Cd2 Cd1 180.000(6) 19_455 7_554
O1W Cd2 Cd1 35.01(4) 21_454 21_454
O1W Cd2 Cd1 144.99(4) . 21_454
O2 Cd2 Cd1 94.09(4) 29_455 21_454
O2 Cd2 Cd1 85.91(4) 9_454 21_454
O2 Cd2 Cd1 132.81(5) 27_454 21_454
O2 Cd2 Cd1 47.19(5) 15_455 21_454
Cd1 Cd2 Cd1 180.000(9) . 21_454
Cd1 Cd2 Cd1 122.730(8) 19_455 21_454
Cd1 Cd2 Cd1 57.270(8) 7_554 21_454
O1W Cd2 Cd2 147.39(7) 21_454 6_455
O1W Cd2 Cd2 32.61(7) . 6_455
O2 Cd2 Cd2 77.86(5) 29_455 6_455
O2 Cd2 Cd2 102.14(5) 9_454 6_455
O2 Cd2 Cd2 102.14(5) 27_454 6_455
O2 Cd2 Cd2 77.86(5) 15_455 6_455
Cd1 Cd2 Cd2 58.674(3) . 6_455
Cd1 Cd2 Cd2 58.674(3) 19_455 6_455
Cd1 Cd2 Cd2 121.326(3) 7_554 6_455
Cd1 Cd2 Cd2 121.326(3) 21_454 6_455
O1W Cd2 Cd2 32.61(7) 21_454 6_454
O1W Cd2 Cd2 147.39(7) . 6_454
O2 Cd2 Cd2 102.14(5) 29_455 6_454
O2 Cd2 Cd2 77.86(5) 9_454 6_454
O2 Cd2 Cd2 77.86(5) 27_454 6_454
O2 Cd2 Cd2 102.14(5) 15_455 6_454
Cd1 Cd2 Cd2 121.326(3) . 6_454
Cd1 Cd2 Cd2 121.326(3) 19_455 6_454
Cd1 Cd2 Cd2 58.674(3) 7_554 6_454
Cd1 Cd2 Cd2 58.674(3) 21_454 6_454
Cd2 Cd2 Cd2 180.0 6_455 6_454
O1W Cd2 H1WA 159.19(6) 21_454 .
O1W Cd2 H1WA 20.81(6) . .
O2 Cd2 H1WA 117.16(9) 29_455 .
O2 Cd2 H1WA 62.84(9) 9_454 .
O2 Cd2 H1WA 94.48(14) 27_454 .
O2 Cd2 H1WA 85.52(14) 15_455 .
Cd1 Cd2 H1WA 50.70(10) . .
Cd1 Cd2 H1WA 16.17(10) 19_455 .
Cd1 Cd2 H1WA 163.83(10) 7_554 .
Cd1 Cd2 H1WA 129.30(10) 21_454 .
Cd2 Cd2 H1WA 42.79(12) 6_455 .
Cd2 Cd2 H1WA 137.21(12) 6_454 .
O1 Cd3 O1 172.05(13) 7 .
O1 Cd3 O1 79.48(9) 7 27_455
O1 Cd3 O1 101.08(9) . 27_455
O1 Cd3 O1 101.08(9) 7 29_455
O1 Cd3 O1 79.48(9) . 29_455
O1 Cd3 O1 172.05(13) 27_455 29_455
O1 Cd3 O2 63.00(7) 7 7
O1 Cd3 O2 124.43(7) . 7
O1 Cd3 O2 98.32(7) 27_455 7
O1 Cd3 O2 75.15(7) 29_455 7
O1 Cd3 O2 98.32(7) 7 12_455
O1 Cd3 O2 75.15(7) . 12_455
O1 Cd3 O2 63.00(7) 27_455 12_455
O1 Cd3 O2 124.43(7) 29_455 12_455
O2 Cd3 O2 156.81(9) 7 12_455
O1 Cd3 O2 124.43(7) 7 .
O1 Cd3 O2 63.00(7) . .
O1 Cd3 O2 75.15(7) 27_455 .
O1 Cd3 O2 98.32(7) 29_455 .
O2 Cd3 O2 72.86(8) 7 .
O2 Cd3 O2 112.06(8) 12_455 .
O1 Cd3 O2 75.15(7) 7 14_455
O1 Cd3 O2 98.32(7) . 14_455
O1 Cd3 O2 124.43(7) 27_455 14_455
O1 Cd3 O2 63.00(7) 29_455 14_455
O2 Cd3 O2 112.06(8) 7 14_455
O2 Cd3 O2 72.86(8) 12_455 14_455
O2 Cd3 O2 156.81(9) . 14_455
O1 Cd3 Se1 31.88(6) 7 7
O1 Cd3 Se1 155.51(6) . 7
O1 Cd3 Se1 88.40(5) 27_455 7
O1 Cd3 Se1 88.11(5) 29_455 7
O2 Cd3 Se1 31.13(4) 7 7
O2 Cd3 Se1 128.81(4) 12_455 7
O2 Cd3 Se1 98.56(4) . 7
O2 Cd3 Se1 94.62(4) 14_455 7
O1 Cd3 Se1 88.40(5) 7 27_455
O1 Cd3 Se1 88.11(5) . 27_455
O1 Cd3 Se1 31.88(6) 27_455 27_455
O1 Cd3 Se1 155.51(6) 29_455 27_455
O2 Cd3 Se1 128.81(4) 7 27_455
O2 Cd3 Se1 31.13(4) 12_455 27_455
O2 Cd3 Se1 94.62(4) . 27_455
O2 Cd3 Se1 98.56(4) 14_455 27_455
Se1 Cd3 Se1 110.455(8) 7 27_455
O1 Cd3 Se1 88.11(5) 7 29_455
O1 Cd3 Se1 88.40(5) . 29_455
O1 Cd3 Se1 155.51(6) 27_455 29_455
O1 Cd3 Se1 31.88(6) 29_455 29_455
O2 Cd3 Se1 94.62(4) 7 29_455
O2 Cd3 Se1 98.56(4) 12_455 29_455
O2 Cd3 Se1 128.81(4) . 29_455
O2 Cd3 Se1 31.13(4) 14_455 29_455
Se1 Cd3 Se1 92.112(10) 7 29_455
Se1 Cd3 Se1 127.855(11) 27_455 29_455
O1 Cd3 Se1 155.51(6) 7 .
O1 Cd3 Se1 31.88(6) . .
O1 Cd3 Se1 88.11(5) 27_455 .
O1 Cd3 Se1 88.40(5) 29_455 .
O2 Cd3 Se1 98.56(4) 7 .
O2 Cd3 Se1 94.62(4) 12_455 .
O2 Cd3 Se1 31.13(4) . .
O2 Cd3 Se1 128.81(4) 14_455 .
Se1 Cd3 Se1 127.855(11) 7 .
Se1 Cd3 Se1 92.112(10) 27_455 .
Se1 Cd3 Se1 110.455(8) 29_455 .
O2 Se1 O2 104.73(13) . 18
O2 Se1 O1 96.80(7) . .
O2 Se1 O1 96.80(7) 18 .
O2 Se1 Cd3 50.19(6) . .
O2 Se1 Cd3 105.25(6) 18 .
O1 Se1 Cd3 46.62(5) . .
O2 Se1 Cd3 105.25(6) . 29_455
O2 Se1 Cd3 50.19(6) 18 29_455
O1 Se1 Cd3 46.62(5) . 29_455
Cd3 Se1 Cd3 69.545(8) . 29_455
Cl1 Cl1 Cl2 136.16(14) 25_454 18
Cl1 Cl1 Cl1 124.86(9) 25_454 18
Cl2 Cl1 Cl1 98.99(6) 18 18
Cl1 Cl1 Cd1 132.84(3) 25_454 3
Cl2 Cl1 Cd1 64.98(5) 18 3
Cl1 Cl1 Cd1 62.06(4) 18 3
Cl1 Cl1 Cd1 132.84(3) 25_454 .
Cl2 Cl1 Cd1 64.98(5) 18 .
Cl1 Cl1 Cd1 62.06(4) 18 .
Cd1 Cl1 Cd1 93.22(6) 3 .
Cl2 Cl2 Cl1 171.01(6) 2_455 18
Cl2 Cl2 Cd1 110.89(4) 2_455 .
Cl1 Cl2 Cd1 63.54(5) 18 .
Cl2 Cl2 Cd1 110.89(4) 2_455 3
Cl1 Cl2 Cd1 63.54(5) 18 3
Cd1 Cl2 Cd1 91.77(6) . 3
Se1 O1 Cd1 129.82(13) . .
Se1 O1 Cd3 101.50(9) . .
Cd1 O1 Cd3 109.81(8) . .
Se1 O1 Cd3 101.50(9) . 29_455
Cd1 O1 Cd3 109.81(8) . 29_455
Cd3 O1 Cd3 100.52(9) . 29_455
Se1 O2 Cd2 137.34(10) . 9
Se1 O2 Cd3 98.68(7) . .
Cd2 O2 Cd3 105.15(7) 9 .
Se1 O2 Cd1 121.93(9) . 27_455
Cd2 O2 Cd1 90.21(6) 9 27_455
Cd3 O2 Cd1 96.41(6) . 27_455
Cd1 O1W Cd1 103.98(14) . 19_455
Cd1 O1W Cd2 109.380(10) . 6_455
Cd1 O1W Cd2 109.380(10) 19_455 6_455
Cd1 O1W Cd2 109.380(10) . .
Cd1 O1W Cd2 109.380(10) 19_455 .
Cd2 O1W Cd2 114.79(14) 6_455 .
Cd1 O1W H1WA 122.9(6) . .
Cd1 O1W H1WA 18.9(5) 19_455 .
Cd2 O1W H1WA 100.1(3) 6_455 .
Cd2 O1W H1WA 100.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1W 2.144(2) .
Cd1 O1 2.248(3) .
Cd1 O2 2.5863(19) 12_455
Cd1 O2 2.5863(19) 27_454
Cd1 Cl1 2.5929(12) 18
Cd1 Cl1 2.5929(12) .
Cd1 Cl2 2.6245(12) 18
Cd1 Cl2 2.6245(12) .
Cd1 Cd1 3.3791(5) 19_455
Cd1 Cd2 3.5255(2) 6_455
Cd1 Cd2 3.5255(2) .
Cd1 Cd1 3.7685(6) 3
Cd2 O1W 2.1759(18) 21_454
Cd2 O1W 2.1759(18) .
Cd2 O2 2.3864(17) 29_455
Cd2 O2 2.3864(17) 9_454
Cd2 O2 2.3864(17) 27_454
Cd2 O2 2.3864(17) 15_455
Cd2 Cd1 3.5255(2) 19_455
Cd2 Cd1 3.5255(2) 7_554
Cd2 Cd1 3.5255(2) 21_454
Cd2 Cd2 3.6659(3) 6_455
Cd2 Cd2 3.6659(2) 6_454
Cd2 H1WA 2.498(5) .
Cd3 O1 2.3836(15) 7
Cd3 O1 2.3836(15) .
Cd3 O1 2.3836(15) 27_455
Cd3 O1 2.3836(15) 29_455
Cd3 O2 2.4976(17) 7
Cd3 O2 2.4976(17) 12_455
Cd3 O2 2.4976(17) .
Cd3 O2 2.4976(17) 14_455
Cd3 Se1 3.2139(3) 7
Cd3 Se1 3.2139(3) 27_455
Cd3 Se1 3.2139(3) 29_455
Cd3 Se1 3.2139(3) .
Se1 O2 1.6806(19) .
Se1 O2 1.6806(19) 18
Se1 O1 1.732(3) .
Se1 Cd3 3.2139(3) 29_455
Cl1 Cl1 2.162(3) 25_454
Cl1 Cl2 2.266(2) 18
Cl1 Cl1 2.430(4) 18
Cl1 Cd1 2.5929(12) 3
Cl2 Cl2 1.507(3) 2_455
Cl2 Cl1 2.266(2) 18
Cl2 Cd1 2.6245(12) 3
O1 Cd3 2.3836(15) 29_455
O2 Cd2 2.3864(17) 9
O2 Cd1 2.5863(19) 27_455
O1W Cd1 2.144(2) 19_455
O1W Cd2 2.1759(18) 6_455
O1W H1WA 0.902(4) .
