Crystallography Open Database

Information card for entry 4133743

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Coordinates	4133743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H60 N8 O21 V8
Calculated formula	C17 H60 N8 O21 V8
Title of publication	LA Dominant Windmill-Shaped V8 Clusters: A Bifunctional Heter-ogeneous Catalyst for CO2 Cycloaddition and Oxidation of Sulfides.
Authors of publication	Cao, Jia-Peng; Xue, Yun-Shan; Li, Ning-Fang; Gong, Jun-Jie; Kang, Run-Kun; Xu, Yan
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	20.2406 ± 0.0014 Å
b	11.0849 ± 0.0008 Å
c	17.9819 ± 0.0013 Å
α	90°
β	91.13 ± 0.001°
γ	90°
Cell volume	4033.7 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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