#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007826.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007826
loop_
_publ_author_name
'Muller, V. U.'
'Vogler, S.'
'Dehnicke, K.'
'Fenske, D.'
_publ_section_title
;
 Tetraphenylphosphonium- und natrium-15-krone-5-tetrachloro-
 cyclodithiadiazenorhenat
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1989
_journal_page_last               1992
_journal_paper_doi               10.1107/S0108270190002621
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     Na(C10H20O5)ReCl4(N2S2)
_chemical_formula_sum            'C10 Cl4 N2 Na O5 Re S2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.67
_cell_angle_gamma                90
_cell_length_a                   10.167
_cell_length_b                   15.241
_cell_length_c                   14.536
_cell_formula_units_Z            4
_cell_volume                     2188.625
_database_code_amcsd             0010188
_exptl_crystal_density_diffrn    1.952
_cod_original_formula_sum        'Re Cl4 S2 N2 Na O5 C10'
_cod_database_code               9007826
_amcsd_formula_title             Na(C10H20O5)ReCl4(N2S2)
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
Rel 0.09192 0.18895 0.08500 0.03630 0
Cl1 0.32480 0.19700 0.16970 0.06500 0
Cl2 -0.14530 0.18630 0.02240 0.07700 0
Cl3 0.06430 0.32940 0.15250 0.05500 0
Cl4 0.05070 0.10990 0.21490 0.06900 0
S1 0.12660 0.05370 -0.07600 0.08000 0
S2 0.12480 0.22480 -0.12550 0.07100 0
N1 0.11580 0.09160 0.01920 0.04600 0
N2 0.11930 0.23600 -0.02260 0.04200 0
Na 0.36540 0.38100 0.15770 0.05200 0
O1 0.34300 0.47810 0.28540 0.08300 0
O2 0.27500 0.52100 0.09640 0.07800 0
O3 0.33200 0.38760 -0.01220 0.07500 0
O4 0.57000 0.35050 0.10320 0.07500 0
O5 0.56700 0.37820 0.28800 0.08700 0
C1 0.31400 0.56500 0.25200 0.11000 2
C2 0.20600 0.56300 0.16100 0.10700 2
C3 0.19100 0.50300 0.01000 0.13000 2
C4 0.27100 0.46600 -0.05500 0.12000 2
C5 0.43600 0.36100 -0.05420 0.12000 2
C6 0.52700 0.30400 0.01200 0.12000 2
C7 0.66500 0.31000 0.17700 0.10000 2
C8 0.68800 0.36800 0.25900 0.10800 2
C9 0.57200 0.44400 0.35000 0.18000 2
C10 0.45800 0.47300 0.36500 0.15000 2
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010188
