Crystallography Open Database

Information card for entry 4118943

Preview

Coordinates	4118943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs10.5 H65.5 K4 O196 Si4 Ta16 W36
Calculated formula	Cs10.5 K4 O186.3 Si4 Ta16 W36
Title of publication	{Ta12}/{Ta16} Cluster-Containing Polytantalotungstates with Remarkable Photocatalytic H2 Evolution Activity
Authors of publication	Shujun Li; Shumei Liu; Shuxia Liu; Yiwei Liu; Qun Tang; Zhan Shi; Shuxin Ouyang; Jinhua Ye
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	19716 - 19721
a	34.181 ± 0.005 Å
b	30.283 ± 0.005 Å
c	23.229 ± 0.005 Å
α	90 ± 0.005°
β	123.959 ± 0.005°
γ	90 ± 0.005°
Cell volume	19943 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1342
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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