Crystallography Open Database

Information card for entry 4127346

Preview

Coordinates	4127346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 Hf3 O16
Calculated formula	C40 H28 Hf3 O16
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	28.0224 ± 0.0008 Å
b	28.0224 ± 0.0008 Å
c	28.0224 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	22004.7 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0967
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
220631 (current)	2019-11-02	cif/ Adding structures of 4127346 via cif-deposit CGI script.	4127346.cif