#------------------------------------------------------------------------------
#$Date: 2014-02-24 03:06:50 +0200 (Mon, 24 Feb 2014) $
#$Revision: 102820 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/13/8101332.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_8101332
loop_
_publ_author_name
'Jiang, Xue Ning'
'Yu, Wen Tao'
'Yuan, Duo Rong'
'Xu, Dong'
'Lv, Meng Kai'
'Wang, Xin Qiang'
'Guo, Shi Yi'
'Jiang, Min Hua'
_publ_section_title
;
Redetermination of the crystal structure of dichlorotetrakisthioureacadmium, 
C₄H₁₆CdCl₂N₈S₄
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              499
_journal_page_last               500
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C4 H16 Cd Cl2 N8 S4'
_chemical_formula_weight         487.79
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8035(10)
_cell_length_b                   13.8035(10)
_cell_length_c                   9.2678(15)
_cell_measurement_temperature    566(2)
_cell_volume                     1765.9(3)
_cod_database_code               8101332
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
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_Wyckoff_symbol
Cd Cd 0.5000 0.5000 0.5000 0.03480(9) Uani 1 4 d S . . d
Cl Cl 0.48652(4) 0.50096(4) 0.21604(6) 0.04288(15) Uani 1 8 d . . . g
S1 S 0.38146(4) 0.33939(4) 0.48084(6) 0.04157(15) Uani 1 8 d . . . g
S2 S 0.34800(4) 0.61995(4) 0.52725(7) 0.04080(15) Uani 1 8 d . . . g
N1 N 0.35776(17) 0.16751(15) 0.5956(3) 0.0559(6) Uani 1 8 d . . . g
N2 N 0.49183(16) 0.24626(16) 0.6716(2) 0.0504(5) Uani 1 8 d . . . g
N3 N 0.16319(18) 0.5985(3) 0.4802(4) 0.0820(10) Uani 1 8 d . . . g
N4 N 0.25840(18) 0.52072(18) 0.3195(3) 0.0607(6) Uani 1 8 d . . . g
C1 C 0.41332(14) 0.24452(14) 0.5898(2) 0.0344(4) Uani 1 8 d . . . g
C2 C 0.24991(15) 0.57612(16) 0.4342(2) 0.0428(5) Uani 1 8 d . . . g
H4A H 0.2096(19) 0.4994(18) 0.285(3) 0.055(8) Uiso 1 8 d . . . g
H1B H 0.3096(19) 0.1681(19) 0.543(3) 0.060(8) Uiso 1 8 d . . . g
H2B H 0.5044(17) 0.199(2) 0.720(3) 0.061(8) Uiso 1 8 d . . . g
H2A H 0.5296(18) 0.2913(18) 0.659(3) 0.054(8) Uiso 1 8 d . . . g
H1A H 0.3748(18) 0.1198(18) 0.639(3) 0.058(8) Uiso 1 8 d . . . g
H3A H 0.117(2) 0.5745(19) 0.435(3) 0.073(9) Uiso 1 8 d . . . g
H4B H 0.3120(19) 0.5066(19) 0.287(3) 0.058(9) Uiso 1 8 d . . . g
H3B H 0.160(3) 0.640(3) 0.549(4) 0.120(18) Uiso 1 8 d . . . g
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
Cd Cl 2.6383(7) . ?
Cd Cl 2.6383(7) 5_666 ?
Cd S2 2.6847(6) 5_666 ?
Cd S2 2.6847(6) . ?
Cd S1 2.7612(6) . ?
Cd S1 2.7612(6) 5_666 ?
S1 C1 1.711(2) . ?
S2 C2 1.716(2) . ?
N1 C1 1.312(3) . ?
N2 C1 1.323(3) . ?
N3 C2 1.308(3) . ?
N4 C2 1.314(3) . ?
