Crystallography Open Database

Information card for entry 7051229

Preview

Coordinates	7051229.cif

Structure parameters

Formula	C10 H27 Au Cl4 O8
Calculated formula	C10 H27 Au Cl4 O8
SMILES	[Au](Cl)(Cl)(Cl)[Cl-].O1CCOCCOCCOCCOCC1.O.[OH2][H+][OH2]
Title of publication	Single Crystal Neutron and X-ray Diffraction Studies of (H7O3)[AuCl4]·15-crown-5.
Authors of publication	Maria Calleja; Sax A. Mason; Paul D. Prince; Jonathan W. Steed; Clive Wilkinson
Journal of publication	New Journal of Chemistry
Year of publication	2001
a	7.9346 ± 0.0004 Å
b	18.6728 ± 0.0009 Å
c	13.9672 ± 0.0007 Å
α	90°
β	104.485 ± 0.003°
γ	90°
Cell volume	2003.62 ± 0.17 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180066 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/12.	7051229.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051229.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7051229.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	7051229.cif
23	2008-01-27	Removed characters with the high-bit set from all COD CIF files, using the following commands: ff \*.cif \ \| xargs -n1 perl -ne 'print $ARGV,"\n" and last if /[\177-\377]/' \ \| tee have-high-bit-chars.lst cat have-high-bit-chars.lst \ \| xargs -t -n1 -iI sh -c 'iconv -f latin1 I \ \| utf8-to-cif \ \| perl -pe "s//\\\\/g" \ \| fold -w 79 -s > I.tmp; mv I.tmp I' Afterwards, some file were corrected manually, to remove one remaining \177 character, and to fix single-quoted lines that became too long and were folded.	7051229.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	7051229.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7051229.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	7051229.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	7051229.cif