Crystallography Open Database

Information card for entry 4108132

Preview

Coordinates	4108132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H4 Au2 F10 N2
Calculated formula	C20 H4 Au2 F10 N2
SMILES	C([Au]c1c(c(c(c(F)c1F)F)F)F)#[N]c1ccc(cc1)[N]#C[Au]c1c(c(c(c(F)c1F)F)F)F
Title of publication	Reversible Mechanochromic Luminescence of [(C6F5Au)2(μ-1,4-Diisocyanobenzene)]
Authors of publication	Hajime Ito; Tomohisa Saito; Naoya Oshima; Noboru Kitamura; Shoji Ishizaka; Yukio Hinatsu; Makoto Wakeshima; Masako Kato; Kiyoshi Tsuge; Masaya Sawamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10044 - 10045
a	5.19 ± 0.002 Å
b	17.154 ± 0.006 Å
c	10.861 ± 0.004 Å
α	90°
β	90.83 ± 0.03°
γ	90°
Cell volume	966.8 ± 0.6 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4108132.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108132.cif
56468	2012-05-11	cif/ Adding structures of 4108132 via cif-deposit CGI script.	4108132.cif