Crystallography Open Database

Information card for entry 7026990

Preview

Coordinates	7026990.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(o-xylylNC)AuCl
Formula	C9 H9 Au Cl N
Calculated formula	C9 H9 Au Cl N
SMILES	[Au](C#[N]c1c(cccc1C)C)Cl
Title of publication	Effects of anions on the solid state structures of linear gold(I) complexes of the type (o-xylyl isocyanide)gold(I) (monoanion)
Authors of publication	Ecken, Holger; Olmstead, Marilyn M.; Noll, Bruce C.; Attar, Saeed; Schlyer, Bruce; Balch, Alan L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	22
Pages of publication	3715
a	10.614 ± 0.003 Å
b	17.216 ± 0.004 Å
c	11.011 ± 0.003 Å
α	90°
β	97.93 ± 0.02°
γ	90°
Cell volume	1992.8 ± 0.9 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179975 (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 7/02/69.	7026990.cif
94903	2014-01-28	cif/ Adding structures of 7026990, 7026991, 7026992, 7026993 via cif-deposit CGI script.	7026990.cif