Crystallography Open Database

Information card for entry 7115848

Preview

Coordinates	7115848.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium malate : fumarate
Chemical name	Dilithium (L-malate)0.43 (fumarate)0.57
Formula	C4 H2.85 Li2 O4.43
Calculated formula	C4 H2.85 Li2 O4.425
Title of publication	Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework
Authors of publication	Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13292
a	11.8093 ± 0.001 Å
b	11.8093 ± 0.001 Å
c	10.9615 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	1323.9 ± 0.2 Å³
Cell temperature	119.95 ± 0.1 K
Ambient diffraction temperature	119.95 ± 0.1 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180272 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/58.	7115848.cif
127737	2014-11-21	cif/ Adding structures of 7115847, 7115848, 7115849, 7115850 via cif-deposit CGI script.	7115848.cif