Crystallography Open Database

Information card for entry 4109881

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Structure parameters

Formula	Au0.88 H20 K12.5 O80 P2 W18
Calculated formula	Au0.88 H20 K12.5 O80 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	28.721 ± 0.018 Å
b	31.61 ± 0.04 Å
c	39.159 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	35551 ± 5 Å³
Cell temperature	30 K
Ambient diffraction temperature	30 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	0.193
Residual factor for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections	2.99
Goodness-of-fit parameter for all reflections included in the refinement	2.99
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation type	neutron,whitebeam
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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