Crystallography Open Database

Information card for entry 4127347

Preview

Coordinates	4127347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10.62 H7 O5.2 V0.1 Zr0.75
Calculated formula	C10.625 H7 O5.2 V0.1 Zr0.75
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	28.2644 ± 0.0004 Å
b	28.2644 ± 0.0004 Å
c	28.2644 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	22579.8 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1608
Residual factor for significantly intense reflections	0.1458
Weighted residual factors for significantly intense reflections	0.5059
Weighted residual factors for all reflections included in the refinement	0.559
Goodness-of-fit parameter for all reflections included in the refinement	2.692
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
220632 (current)	2019-11-02	cif/ Adding structures of 4127347 via cif-deposit CGI script.	4127347.cif