Crystallography Open Database

Information card for entry 4127345

Preview

Coordinates	4127345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10.62 H7 Hf0.75 O5 V0.1
Calculated formula	C10.625 H7 Hf0.75 O5 V0.1
Title of publication	Vanadium Catalyst on Isostructural Transition Metal, Lanthanide, and Actinide Based Metal-Organic Frameworks for Alcohol Oxidation.
Authors of publication	Wang, Xingjie; Zhang, Xuan; Li, Peng; Otake, Ken-Ichi; Cui, Yuexing; Lyu, Jiafei; Krzyaniak, Matthew D.; Zhang, Yuanyuan; Li, Zhanyong; Liu, Jian; Buru, Cassandra T.; Islamoglu, Timur; Wasielewski, Michael R.; Li, Zhong; Farha, Omar K.
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	20
Pages of publication	8306 - 8314
a	28.23 ± 0.0003 Å
b	28.23 ± 0.0003 Å
c	28.23 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	22497.4 ± 0.4 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.215
Residual factor for significantly intense reflections	0.1894
Weighted residual factors for significantly intense reflections	0.6168
Weighted residual factors for all reflections included in the refinement	0.6381
Goodness-of-fit parameter for all reflections included in the refinement	3.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
220630 (current)	2019-11-02	cif/ Adding structures of 4127345 via cif-deposit CGI script.	4127345.cif