Crystallography Open Database

Information card for entry 4001861

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Coordinates	4001861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B24 Mn4 O88 V16
Calculated formula	B24 Mn4 O88 V16
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	18.9341 ± 0.0003 Å
b	18.9341 ± 0.0003 Å
c	18.9341 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6787.88 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0903
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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