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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530665.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_1530665
loop_
_publ_author_name
'Rusanovsky, M.E.'
'Belov, N.V.'
'Kiseleva, I.N.'
'Samus, I.D.'
_publ_section_title
;
 The crystal structure of rhodium trithiosemicarbazide chloride (III) (Rh
 (Thios3) Cl3
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              361
_journal_page_last               364
_journal_volume                  250
_journal_year                    1980
_chemical_formula_sum            'C3 H15 Cl3 N9 Rh S3'
_chemical_name_systematic        'Rh (S C N3 H5)3 Cl3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                99.99
_cell_formula_units_Z            4
_cell_length_a                   15.396
_cell_length_b                   9.193
_cell_length_c                   11.496
_cell_volume                     1602.421
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Rusanovsky_DANKAS_1980_1106.cif
_cod_data_source_block           C3H15Cl3N9Rh1S3
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'C3 H15 Cl3 N9 Rh1 S3'
_cod_database_code               1530665
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x,-y,-z
x,y-1/2,-z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
C3 C+4 0.393 0.4531 0.1397 1 0.0
Cl1 Cl-1 -0.0144 0.8828 0.1557 1 0.0
N7 N-2 0.2855 -0.0108 -0.0161 1 0.0
Rh1 Rh+3 0.2496 0.3095 0.0247 1 0.0
Cl3 Cl-1 0.4827 0.7924 0.0582 1 0.0
N4 N-2 0.1156 0.4555 -0.1373 1 0.0
N9 N-3 0.4494 0.4996 0.2071 1 0.0
N8 N-2 0.3756 0.5178 0.0356 1 0.0
S3 S-2 0.3372 0.3158 0.1847 1 0.0
Cl2 Cl-1 0.6821 0.2713 0.1977 1 0.0
N5 N-3 0.044 0.6759 -0.0687 1 0.0
C1 C+4 0.0998 0.5547 -0.0517 1 0.0
C2 C+4 0.217 -0.0045 0.0565 1 0.0
S1 S-2 0.1547 0.5204 0.079 1 0.0
N6 N-3 0.1859 -0.1254 0.0765 1 0.0
N1 N-2 0.334 0.4385 -0.0504 1 0.0
N2 N-2 0.3287 0.1095 -0.031 1 0.0
N3 N-2 0.1671 0.3161 -0.1217 1 0.0
S2 S-2 0.1688 0.157 0.1182 1 0.0
