Crystallography Open Database

Information card for entry 4117841

Preview

Coordinates	4117841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H84 Au4 Cu4 O10
Calculated formula	C60 H84 Au4 Cu4 O10
Title of publication	Modulation of Metallophilic Bonds: Solvent-Induced Isomerization and Luminescence Vapochromism of a Polymorphic Au-Cu Cluster
Authors of publication	Igor O. Koshevoy; Yuh-Chia Chang; Antti J. Karttunen; Matti Haukka; Tapani Pakkanen; Pi-Tai Chou
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6564 - 6567
a	10.5462 ± 0.0007 Å
b	10.8009 ± 0.0007 Å
c	27.5951 ± 0.0017 Å
α	82.413 ± 0.002°
β	83.268 ± 0.003°
γ	89.393 ± 0.003°
Cell volume	3094.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
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 all reflections	0.0815
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178949 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/78.	4117841.cif
74967	2013-03-05	cif/ Adding structures of 4117841 via cif-deposit CGI script.	4117841.cif