Crystallography Open Database

Information card for entry 7218067

Preview

Coordinates	7218067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 N O6 Zn
Calculated formula	C3 H7 N O6 Zn
Title of publication	Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework
Authors of publication	Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	2
Pages of publication	370
a	12.5946 ± 0.0003 Å
b	12.5946 ± 0.0003 Å
c	8.2087 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1127.65 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
180511 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/80.	7218067.cif
133129	2015-03-06	cif/ Updating files of 7218067, 7218068 Original log message: Adding full bibliography for 7218067--7218068.cif.	7218067.cif
123656	2014-09-10	cif/ Adding structures of 7218067, 7218068 via cif-deposit CGI script.	7218067.cif