Crystallography Open Database

Information card for entry 7240039

Preview

Coordinates	7240039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Li2 O10
Calculated formula	C8 H12 Li2 O10
Title of publication	From partial to complete neutralization of 2,5-dihydroxyterephthalic acid in the Li‒Na system: crystal chemistry and electrochemical behavior of Na2Li2C8H2O6vs. Li
Authors of publication	Quarez, Éric; Jouhara, Alia; Grolleau, Stéphane; Dolhem, Franck; Dupré, Nicolas; Poizot, Philippe
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	9
Pages of publication	1653 - 1663
a	7.272 ± 0.0003 Å
b	9.1631 ± 0.0003 Å
c	10.5276 ± 0.0012 Å
α	97.273 ± 0.006°
β	110.034 ± 0.006°
γ	111.668 ± 0.003°
Cell volume	586.18 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.0644
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
257481 (current)	2020-10-06	cif/ Updating files of 7240037, 7240038, 7240039, 7240040 Original log message: Adding full bibliography for 7240037--7240040.cif.	7240039.cif
248758	2020-03-04	cif/ Adding structures of 7240037, 7240038, 7240039, 7240040 via cif-deposit CGI script.	7240039.cif