Crystallography Open Database

Information card for entry 7218068

Preview

Coordinates	7218068.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	7.309 ± 0.0002 Å
b	7.309 ± 0.0002 Å
c	8.1701 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	377.98 ± 0.02 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0492
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
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.	7218068.cif
133129	2015-03-06	cif/ Updating files of 7218067, 7218068 Original log message: Adding full bibliography for 7218067--7218068.cif.	7218068.cif
123656	2014-09-10	cif/ Adding structures of 7218067, 7218068 via cif-deposit CGI script.	7218068.cif