Crystallography Open Database

Information card for entry 7055112

Preview

Coordinates	7055112.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UBMOF-2
Formula	C12 H3 O3.25 Zn
Calculated formula	C10.5 H2.25 O3.25 Zn
Title of publication	The role of atropisomers on the photo-reactivity and fatigue of diarylethene-based metal‒organic frameworks
Authors of publication	Walton, Ian M.; Cox, Jordan M.; Benson, Cassidy A.; Patel, Dinesh (Dan) G.; Chen, Yu-Sheng; Benedict, Jason B.
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	1
Pages of publication	101
a	34.001 ± 0.003 Å
b	34.001 ± 0.003 Å
c	34.001 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	39307 ± 6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.2643
Weighted residual factors for all reflections included in the refinement	0.2732
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176129 (current)	2016-02-05	cif/ Updating files of 7055111, 7055112 Original log message: Adding full bibliography for 7055111--7055112.cif.	7055112.cif
158209	2015-09-22	cif/ Adding structures of 7055111, 7055112 via cif-deposit CGI script.	7055112.cif