Crystallography Open Database

Information card for entry 4132612

Preview

Coordinates	4132612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H53.6 O33.7 V1.1 Zr6
Calculated formula	C94 H53.6 O33.12 V1.02 Zr6
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	39.554 ± 0.003 Å
b	39.554 ± 0.003 Å
c	16.43 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	22261 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4132612.cif