Crystallography Open Database

Information card for entry 4508049

Preview

Coordinates	4508049.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium tartrate
Chemical name	Dilithium meso-tartrate
Formula	C4 H4 Li2 O6
Calculated formula	C4 H4 Li2 O6
SMILES	O[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])O.[Li+].[Li+]
Title of publication	Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis
Authors of publication	H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3705
a	6.4777 ± 0.0005 Å
b	5.0082 ± 0.0004 Å
c	8.9897 ± 0.0008 Å
α	90°
β	95.679 ± 0.008°
γ	90°
Cell volume	290.21 ± 0.04 Å³
Cell temperature	119.9 K
Ambient diffraction temperature	119.9 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179616 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/80.	4508049.cif
87791	2013-08-27	cif/ Adding structures of 4508049, 4508050, 4508051, 4508052 via cif-deposit CGI script.	4508049.cif