Crystallography Open Database

Information card for entry 4114807

Preview

Coordinates	4114807.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Au(2-py)]3
Formula	C15 H12 Au3 N3
Calculated formula	C15 H12 Au3 N3
Title of publication	Crystal Chemistry of the Gold (I) Trimer, Au3(NC5H4)3: Formation of Hourglass Figures and Self-Association through Aurophilic Attraction
Authors of publication	Akari Hayashi; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	5791 - 5795
a	9.184 ± 0.002 Å
b	17.409 ± 0.004 Å
c	18.815 ± 0.004 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	3008.2 ± 1.1 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178919 (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 4/11/48.	4114807.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114807.cif
68171	2012-10-19	cif/ Adding structures of 4114807 via cif-deposit CGI script.	4114807.cif