Crystallography Open Database

Information card for entry 7007799

Preview

Coordinates	7007799.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Au(bipyOxyl)(CH2=CHPh))(PF6)CH2Cl2
Formula	C27 H26 Au Cl2 F6 N2 P
Calculated formula	C27 H26 Au Cl2 F6 N2 P
Title of publication	Synthesis and properties of gold alkene complexes. Crystal structure of [Au(bipy(oXyl))(eta(2)-CH(2)=CHPh)](PF(6)) and DFT calculations on the model cation [Au(bipy)(eta(2)-CH(2)=CH(2))](+).
Authors of publication	Cinellu, Maria A.; Minghetti, Giovanni; Cocco, Fabio; Stoccoro, Sergio; Zucca, Antonio; Manassero, Mario; Arca, Massimiliano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	48
Pages of publication	5703 - 5716
a	15.011 ± 0.001 Å
b	13.445 ± 0.001 Å
c	14.603 ± 0.001 Å
α	90°
β	108.48 ± 0.01°
γ	90°
Cell volume	2795.2 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.056
Goodness-of-fit parameter for all reflections	0.984
Goodness-of-fit parameter for significantly intense reflections	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179781 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/77.	7007799.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007799.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007799.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007799.cif