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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002164.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_2002164
loop_
_publ_author_name
'Beck, J'
'Mueller-Buschbaum, K'
'Wolf, F'
_publ_section_title
;
On tetrachlorophosphonium chlorometallates of rhenium and molybdenum:
Syntheses, crystal structures and magnetism of (P Cl4)2 (Re2 Cl10) and
(P Cl4)3 (Re Cl6)2 and the magnetic properties of (P Cl4)2 (Mo2 Cl10)
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              975
_journal_page_last               981
_journal_paper_doi
10.1002/(SICI)1521-3749(199906)625:6<975::AID-ZAAC975>3.0.CO;2-#
_journal_volume                  625
_journal_year                    1999
_chemical_formula_structural     '(P Cl4)2 (Re2 Cl10)'
_chemical_formula_sum            'Cl18 P2 Re2'
_chemical_name_systematic
;
Bis(tetrachlorophosphorus) decachlorodirhenate(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.586(11)
_cell_angle_beta                 95.796(12)
_cell_angle_gamma                101.072(11)
_cell_formula_units_Z            1
_cell_length_a                   8.9731(12)
_cell_length_b                   9.4598(12)
_cell_length_c                   6.8713(9)
_cell_volume                     565.4
_refine_ls_R_factor_all          0.0233
_cod_database_code               2002164
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Re1 Re4+ 2 i 0.37023(2) 0.32918(2) 0.38929(2) 1. 0 d
Cl1 Cl1- 2 i 0.58106(13) 0.21961(13) 0.3741(2) 1. 0 d
Cl2 Cl1- 2 i 0.16309(13) 0.44151(14) 0.4176(2) 1. 0 d
Cl3 Cl1- 2 i 0.28357(14) 0.24235(14) 0.0655(2) 1. 0 d
Cl4 Cl1- 2 i 0.2408(2) 0.13106(14) 0.5177(2) 1. 0 d
Cl5 Cl1- 2 i 0.51619(12) 0.54892(11) 0.28347(14) 1. 0 d
P1 P5+ 2 i 0.18944(13) 0.77920(12) 0.0486(2) 1. 0 d
Cl6 Cl1- 2 i 0.1962(2) 0.58467(14) -0.0583(2) 1. 0 d
Cl7 Cl1- 2 i 0.0574(2) 0.7698(2) 0.2557(2) 1. 0 d
Cl8 Cl1- 2 i 0.1068(2) 0.8781(2) -0.1574(2) 1. 0 d
Cl9 Cl1- 2 i 0.39117(15) 0.88425(15) 0.1556(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Re4+ 4.000
Cl1- -1.000
P5+ 5.000
