Crystallography Open Database

Information card for entry 7115847

Preview

Coordinates	7115847.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium fumarate
Chemical name	Dilithium fumarate
Formula	C4 H2 Li2 O4
Calculated formula	C4 H2 Li2 O4
SMILES	[O-]C(=O)/C=C/C(=O)[O-].[Li+].[Li+]
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	3.3392 ± 0.0003 Å
b	4.9297 ± 0.0003 Å
c	7.4736 ± 0.0005 Å
α	76.777 ± 0.005°
β	86.619 ± 0.006°
γ	78.68 ± 0.006°
Cell volume	117.42 ± 0.015 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
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.	7115847.cif
127737	2014-11-21	cif/ Adding structures of 7115847, 7115848, 7115849, 7115850 via cif-deposit CGI script.	7115847.cif