Crystallography Open Database

Information card for entry 7010547

Preview

Coordinates	7010547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H21 Au Cl O2 P S
Calculated formula	C25.5 H21 Au Cl O2 P S
SMILES	[Au](Sc1ccc(cc1)C(=O)O)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Structural diversity in gold(I) complexes of 4-sulfanylbenzoic acid
Authors of publication	Wilton-Ely, James D. E. T.; Schier, Annette; Mitzel, Norbert W.; Schmidbaur, Hubert
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	7
Pages of publication	1058
a	12.0102 ± 0.0002 Å
b	13.345 ± 0.0003 Å
c	17.0602 ± 0.0003 Å
α	74.062 ± 0.001°
β	71.819 ± 0.001°
γ	86.963 ± 0.001°
Cell volume	2496.37 ± 0.08 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010547.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010547.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010547.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010547.cif