Crystallography Open Database

Information card for entry 4109878

Preview

Coordinates	4109878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au1.05 H62 K7.5 O101 P2 W19.95
Calculated formula	Au1.05 K7.5 O85.5 P2 W19.95
Title of publication	Terminal Gold-Oxo Complexes
Authors of publication	Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11118 - 11133
a	16.173 ± 0.0009 Å
b	16.173 ± 0.0009 Å
c	19.7659 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	4477.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.2677
Weighted residual factors for all reflections included in the refinement	0.2683
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109878.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109878.cif
58656	2012-05-29	cif/ Adding structures of 4109878 via cif-deposit CGI script.	4109878.cif