Crystallography Open Database

Information card for entry 1554199

Preview

Coordinates	1554199.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1c
Formula	C24 H12 Au2 F10 N2 O
Calculated formula	C24 H12 Au2 F10 N2 O
SMILES	[Au](C#[N]c1cccc([N]#C[Au]c2c(F)c(F)c(F)c(F)c2F)c1)c1c(F)c(F)c(F)c(F)c1F.O1CCCC1
Title of publication	A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism
Authors of publication	Seki, Tomohiro; Ida, Kentaro; Ito, Hajime
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	6
Pages of publication	1195
a	10.528 ± 0.0009 Å
b	11.5191 ± 0.0011 Å
c	11.8538 ± 0.0011 Å
α	70.006 ± 0.002°
β	70.754 ± 0.002°
γ	67.223 ± 0.003°
Cell volume	1212.85 ± 0.19 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1783
Weighted residual factors for all reflections included in the refinement	0.2219
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
237015 (current)	2019-11-24	cif/ Adding structures of 1554198, 1554199, 1554200 via cif-deposit CGI script.	1554199.cif