Crystallography Open Database

Information card for entry 4505577

Preview

Coordinates	4505577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Li4 N2 O10 S2
Calculated formula	C18 H18 Li4 N2 O10 S2
Title of publication	Synthesis, Structure, and Crystallization Study of a Layered Lithium Thiophene-Dicarboxylate
Authors of publication	El Osta, Racha; Frigoli, Michel; Marrot, Jérôme; Medina, Manuela E.; Walton, Richard I.; Millange, Franck
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1531
a	10.0216 ± 0.0018 Å
b	18.327 ± 0.004 Å
c	24.871 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4568 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179590 (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 4/50/55.	4505577.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505577.cif
51813	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505577 via cif-deposit CGI script.	4505577.cif