Crystallography Open Database

Information card for entry 4102392

Preview

Coordinates	4102392.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Li 2,6-bis(ethoxycarbonyl)-3,7-dioxo-3,7-dihydro-s-indacene-1,5-bis(olate)
Formula	C9 H10 Li O6
Calculated formula	C9 H10 Li O6
Title of publication	Ethoxycarbonyl-Based Organic Electrode for Li-Batteries
Authors of publication	Wesley Walker; Sylvie Grugeon; Olivier Mentre; Stéphane Laruelle; Jean-Marie Tarascon; Fred Wudl
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	6517 - 6523
a	7.5387 ± 0.0006 Å
b	8.0616 ± 0.0008 Å
c	9.2158 ± 0.0009 Å
α	64.967 ± 0.004°
β	83.532 ± 0.004°
γ	81.588 ± 0.004°
Cell volume	501.2 ± 0.08 Å³
Ambient diffraction temperature	293 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	0.0401
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0298
Weighted residual factors for all reflections included in the refinement	0.0338
Goodness-of-fit parameter for significantly intense reflections	0.83
Goodness-of-fit parameter for all reflections included in the refinement	0.83
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4102392.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102392.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102392.cif
25257	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102392 via cif-deposit CGI script.	4102392.cif