Crystallography Open Database

Information card for entry 4062343

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Coordinates	4062343.cif

Structure parameters

Common name	(Ph3PAu)2C(SO2Ph)2
Formula	C50 H41 Au2 Cl3 O4 P2 S2
Calculated formula	C50 H41 Au2 Cl3 O4 P2 S2
SMILES	O=S(=O)(C1([Au]([Au]1[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1.ClC(Cl)Cl
Title of publication	Dinuclear Gold(I) "A-Frame" Complexes from Geminal Diauration of 2,4-Diketones, Methylene-Disulfones and Cyanomethylsulfones
Authors of publication	H. Schmidbaur; B. Djordjevic; K. A. Porter; A. Schier; S. Nogai
Journal of publication	Organometallics
Year of publication	2003
a	10.4053 ± 0.0001 Å
b	17.5455 ± 0.0001 Å
c	26.4409 ± 0.0003 Å
α	90°
β	90.9539 ± 0.0003°
γ	90°
Cell volume	4826.55 ± 0.08 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178519 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/23.	4062343.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4062343.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.	4062343.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.	4062343.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/'	4062343.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4062343.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.	4062343.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)	4062343.cif