Crystallography Open Database

Information card for entry 8000506

Preview

Coordinates	8000506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H8 F2 O5.58 Zr
Calculated formula	C24 H8 F2 O5.582 Zr
Title of publication	Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy.
Authors of publication	Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Journal volume	12
Journal issue	24
Pages of publication	5644 - 5648
a	39.823 ± 0.003 Å
b	39.823 ± 0.003 Å
c	39.823 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	63154 ± 8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.062
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
266975 (current)	2021-07-04	cif/ Updating files of 8000505, 8000506 Original log message: Adding full bibliography for 8000505--8000506.cif.	8000506.cif
266403	2021-06-12	cif/ Adding structures of 8000506 via cif-deposit CGI script.	8000506.cif