Crystallography Open Database

Information card for entry 7112824

Preview

Coordinates	7112824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Au Cl N
Calculated formula	C7 H9 Au Cl N
SMILES	c1(c(cccn1C)C)=[Au]Cl
Title of publication	A simple, general route to 2-pyridylidene transition metal complexes.
Authors of publication	Roselló-Merino, Marta; Díez, Josefina; Conejero, Salvador
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	48
Pages of publication	9247 - 9249
a	7.1822 ± 0.0002 Å
b	14.0369 ± 0.0003 Å
c	16.6733 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1680.93 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112824.cif
112108	2014-04-29	cif/ Adding structures of 7112823, 7112824 via cif-deposit CGI script.	7112824.cif