Crystallography Open Database

Information card for entry 4001860

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Coordinates	4001860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B36 Ni6 O132 V24
Calculated formula	B36 Ni6 O132 V24
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	18.9393 ± 0.0002 Å
b	18.9393 ± 0.0002 Å
c	18.9393 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6793.47 ± 0.12 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	0.1027
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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