Crystallography Open Database

Information card for entry 4500162

Preview

Coordinates	4500162.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium hydrogen L-tartrate
Formula	C4 H5 Li O6
Calculated formula	C4 H5 Li O6
Title of publication	Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues
Authors of publication	Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	221
a	5.0643 ± 0.0002 Å
b	8.3299 ± 0.0003 Å
c	7.4469 ± 0.0003 Å
α	90°
β	107.585 ± 0.002°
γ	90°
Cell volume	299.47 ± 0.02 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
179532 (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 4/50/01.	4500162.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500162.cif
34380	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500162, 4500163, 4500164, 4500165, 4500166 via cif-deposit CGI script.	4500162.cif