Crystallography Open Database

Information card for entry 4132613

Preview

Coordinates	4132613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 Hf6 O33.1 V1.5
Calculated formula	C18 H6 Hf6 O33.0792 V1.5
Title of publication	Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.
Authors of publication	Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8652 - 8656
a	34.9765 ± 0.001 Å
b	34.9765 ± 0.001 Å
c	34.9765 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	42789 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
242559 (current)	2019-11-26	cif/ Adding structures of 4132612, 4132613, 4132614 via cif-deposit CGI script.	4132613.cif