Crystallography Open Database

Information card for entry 4001859

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Coordinates	4001859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 B27 N18 O90 V18
Calculated formula	C18 B27 N18 O90 V18
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	22.0072 ± 0.0006 Å
b	22.0072 ± 0.0006 Å
c	11.2578 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	4721.9 ± 0.2 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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