Crystallography Open Database

Information card for entry 1502702

Preview

Coordinates	1502702.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dilithium and thallium(I) propanoate
Chemical name	Dilithium and thallium(I) tripropanoate
Formula	C15 Li2 O6 Tl
Calculated formula	C15 Li2 O6 Tl
Title of publication	Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.
Authors of publication	Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A
Journal of publication	The journal of physical chemistry. B
Year of publication	2010
Journal volume	114
Journal issue	31
Pages of publication	10075 - 10085
a	4.92085 ± 0.00007 Å
b	12.03031 ± 0.00019 Å
c	33.8289 ± 0.0004 Å
α	90°
β	91.3425 ± 0.0012°
γ	90°
Cell volume	2002.1 ± 0.05 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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 R(I) for significantly intense reflections	3.5258
Goodness-of-fit parameter for all reflections	1.0144
Method of determination	powder diffraction
Diffraction radiation wavelength	0.8266 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.	1502702.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502702.cif
36655	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502702 via cif-deposit CGI script.	1502702.cif