Crystallography Open Database

Information card for entry 4001856

Preview

Coordinates	4001856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B18 H6 O63 V12 Zn3
Calculated formula	B18 H6 O63 V12 Zn3
Title of publication	3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes
Authors of publication	Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang
Journal of publication	Chemistry of Materials
Year of publication	2013
Journal volume	25
Journal issue	24
Pages of publication	5031
a	18.8164 ± 0.0001 Å
b	18.8164 ± 0.0001 Å
c	18.8164 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6662.08 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	201
Hermann-Mauguin space group symbol	P n -3 :2
Hall space group symbol	-P 2ab 2bc 3
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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