Crystallography Open Database

Information card for entry 4500215

Preview

Coordinates	4500215.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lithium butyrate
Chemical name	Lithium butanoate
Formula	C4 H7 Li O2
Calculated formula	C4 H7 Li O2
Title of publication	Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers
Authors of publication	Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	3
Pages of publication	759
a	11.8 ± 0.002 Å
b	4.911 ± 0.001 Å
c	8.846 ± 0.0018 Å
α	90°
β	91.41 ± 0.03°
γ	90°
Cell volume	512.47 ± 0.17 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	0.0884
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.2201
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179533 (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 4/50/02.	4500215.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500215.cif
34403	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500215, 4500216 via cif-deposit CGI script.	4500215.cif