Crystallography Open Database

Information card for entry 4109877

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Coordinates	4109877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au H54 K15 O95 P2 W18
Calculated formula	Au K9 O91.5 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	28.594 ± 0.004 Å
b	31.866 ± 0.004 Å
c	38.241 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	34844 ± 8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0628
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.2293
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178844 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98.	4109877.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109877.cif
58655	2012-05-29	cif/ Adding structures of 4109877 via cif-deposit CGI script.	4109877.cif