Crystallography Open Database

Information card for entry 1516039

Preview

Coordinates	1516039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H78 Au3 Cu2 N
Calculated formula	C70 H78 Au3 Cu2 N
SMILES	[Au]1[C](#Cc2ccc(cc2)C)[Cu]23([C](#[C]2c2ccc(cc2)C)[Au]2)[C](#[C]3c3ccc(cc3)C)[Au][C]3#[C](c4ccc(cc4)C)[Cu]345([C]1#[C]4c1ccc(cc1)C)[C]2#[C]5c1ccc(cc1)C.CCCC[N+](CCCC)(CCCC)CCCC
Title of publication	Synthesis, structure and luminescence studies of heterometallic gold(I)-copper(I) and -silver(I) alkynyl clusters/aggregates.
Authors of publication	Yip, Sung-Kong; Chan, Chui-Ling; Lam, Wai Han; Cheung, Kung-Kai; Yam, Vivian Wing-Wah
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2007
Journal volume	6
Journal issue	4
Pages of publication	365 - 371
a	12.158 ± 0.002 Å
b	16.063 ± 0.003 Å
c	18.733 ± 0.003 Å
α	64.59 ± 0.02°
β	83.11 ± 0.02°
γ	74.52 ± 0.02°
Cell volume	3184.6 ± 1.1 Å³
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	0.045
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1516039.cif
113449	2014-05-12	cif/ Adding structures of 1516039 via cif-deposit CGI script.	1516039.cif