Crystallography Open Database

Information card for entry 1518592

Preview

Coordinates	1518592.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Au_Y
Formula	C18 H4 Au2 F8 N4
Calculated formula	C18 H4 Au2 F8 N4
SMILES	[Au](C#[N]c1ccc([N]#C[Au]c2c(F)c(F)nc(F)c2F)cc1)c1c(F)c(F)nc(F)c1F
Title of publication	Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence
Authors of publication	Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	4
Pages of publication	2187
a	7.79058 ± 0.00018 Å
b	18.7202 ± 0.0005 Å
c	6.74157 ± 0.00017 Å
α	90°
β	103.167 ± 0.0033°
γ	90°
Cell volume	957.35 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Ambient diffracton pressure	101.3 kPa
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
RFsqd	0.02738
Goodness-of-fit parameter for all reflections	3.96
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54059 Å
Diffraction radiation type	CuKα~1~
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.	1518592.cif
134892	2015-04-06	cif/ Updating files of 1518590, 1518591, 1518592 Original log message: Adding full bibliography for 1518590--1518592.cif.	1518592.cif
130020	2015-01-22	cif/ Adding structures of 1518590, 1518591, 1518592 via cif-deposit CGI script.	1518592.cif