Crystallography Open Database

Information card for entry 1518340

Preview

Coordinates	1518340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Au N O2
Calculated formula	C15 H12 Au N O2
SMILES	[Au](C#[N]c1ccccc1)c1ccc(cc1)C(=O)OC
Title of publication	Photoinduced single-crystal-to-single-crystal phase transition and photosalient effect of a gold(i) isocyanide complex with shortening of intermolecular aurophilic bonds
Authors of publication	Seki, Tomohiro; Sakurada, Kenta; Muromoto, Mai; Ito, Hajime
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1491
a	6.0552 ± 0.0005 Å
b	7.0297 ± 0.0006 Å
c	15.9689 ± 0.0014 Å
α	96.315 ± 0.003°
β	93.979 ± 0.003°
γ	90.279 ± 0.003°
Cell volume	673.93 ± 0.1 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518340.cif
133104	2015-03-06	cif/ Updating files of 1518339, 1518340 Original log message: Adding full bibliography for 1518339--1518340.cif.	1518340.cif
127951	2014-11-28	cif/ Adding structures of 1518339, 1518340 via cif-deposit CGI script.	1518340.cif