Crystallography Open Database

Information card for entry 1516389

Preview

Coordinates	1516389.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium Valerate
Chemical name	Lithium Pentanoate
Formula	C5 H9 Li O2
Calculated formula	C5 H9 Li O2
Title of publication	Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate.
Authors of publication	Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A
Journal of publication	The journal of physical chemistry. B
Year of publication	2009
Journal volume	113
Journal issue	39
Pages of publication	12896 - 12902
a	14.181 ± 0.003 Å
b	4.889 ± 0.001 Å
c	8.63 ± 0.0017 Å
α	90°
β	95.81 ± 0.03°
γ	90°
Cell volume	595.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1133
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2176
Weighted residual factors for all reflections included in the refinement	0.2537
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.7514 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516389.cif
114829	2014-05-29	cif/ Adding structures of 1516389, 1516390 via cif-deposit CGI script.	1516389.cif