Crystallography Open Database

Information card for entry 1517427

Preview

Coordinates	1517427.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide
Chemical name	bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide
Formula	C12 H28 I Li O6
Calculated formula	C12 H28 I Li O6
Title of publication	Electrodeposition of Lithium from Lithium-Containing Solvate Ionic Liquids
Authors of publication	Vanhoutte, Gijs; Brooks, Neil R.; Schaltin, Stijn; Opperdoes, Bastiaan; Van Meervelt, Luc; Locquet, Jean-Pierre; Vereecken, Philippe M.; Fransaer, Jan; Binnemans, Koen
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2014
Journal volume	118
Journal issue	35
Pages of publication	20152
a	10.1824 ± 0.0007 Å
b	12.0243 ± 0.0008 Å
c	14.6817 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1797.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1517427.cif
123068	2014-09-06	cif/ Updating files of 1517427 Original log message: Adding full bibliography for 1517427.cif.	1517427.cif
122457	2014-08-23	cif/ Adding structures of 1517427 via cif-deposit CGI script.	1517427.cif