Crystallography Open Database

Information card for entry 7023080

Preview

Coordinates	7023080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H59 Au2 F6 O P2 S Sb
Calculated formula	C47 H59 Au2 F6 O P2 S Sb
SMILES	[Au]([S]([Au][P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccccc1)C(=O)c1ccccc1)[P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccccc1.[Sb](F)(F)(F)(F)([F-])F
Title of publication	Deactivation of gold(I) catalysts in the presence of thiols and amines‒characterisation and catalysis.
Authors of publication	Young, Paul C.; Green, Samantha L. J.; Rosair, Georgina M.; Lee, Ai-Lan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	26
Pages of publication	9645 - 9653
a	13.4006 ± 0.0007 Å
b	13.5192 ± 0.0007 Å
c	15.786 ± 0.0008 Å
α	68.403 ± 0.002°
β	80.115 ± 0.002°
γ	65.851 ± 0.002°
Cell volume	2425.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
179935 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/30.	7023080.cif
90424	2013-11-17	cif/ Adding structures of 7023080, 7023081, 7023082, 7023083, 7023084 via cif-deposit CGI script.	7023080.cif