Crystallography Open Database

Information card for entry 1543715

Preview

Coordinates	1543715.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4-Isocyano-4'-propoxy-1,1'-biphenyl)gold(I) chloride
Formula	C16 H15 Au Cl N O
Calculated formula	C16 H15 Au Cl N O
SMILES	[Au](C#[N]c1ccc(cc1)c1ccc(cc1)OCCC)Cl
Title of publication	Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases.
Authors of publication	Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu
Journal of publication	Faraday discussions
Year of publication	2017
Journal volume	196
Pages of publication	269 - 283
a	10.0233 ± 0.0006 Å
b	7.3836 ± 0.0005 Å
c	20.4729 ± 0.0013 Å
α	90°
β	93.2347 ± 0.0019°
γ	90°
Cell volume	1512.75 ± 0.17 Å³
Cell temperature	296 ± 0.2 K
Ambient diffraction temperature	296 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
193857 (current)	2017-03-05	cif/ Updating files of 1543715, 1543716, 1543717, 1543718, 1543719, 1543720 Original log message: Adding full bibliography for 1543715--1543720.cif.	1543715.cif
184579	2016-07-21	cif/ Adding structures of 1543715, 1543716, 1543717, 1543718, 1543719, 1543720 via cif-deposit CGI script.	1543715.cif