Crystallography Open Database

Information card for entry 4109880

Preview

Coordinates	4109880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au H57 K9 O93.5 P2 W18
Calculated formula	Au K9 O93.5 P2 W18
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	28.605 ± 0.005 Å
b	31.857 ± 0.005 Å
c	38.273 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	34877 ± 10 Å³
Cell temperature	96 ± 2 K
Ambient diffraction temperature	96 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1309
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
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.	4109880.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109880.cif
58658	2012-05-29	cif/ Adding structures of 4109880 via cif-deposit CGI script.	4109880.cif