Crystallography Open Database

Information card for entry 4001214

Preview

Coordinates	4001214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H50 As2 F12 Li2 O12
Calculated formula	C24 H50 As2 F12 Li2 O12
SMILES	F[As](F)(F)(F)(F)[F-].F[As](F)(F)(F)(F)[F-].[Li]12345[O](C)CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC[O]([Li]12345)CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5C
Title of publication	Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12)
Authors of publication	Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G.
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	12
Pages of publication	4039
a	9.399 ± 0.003 Å
b	9.498 ± 0.003 Å
c	11.832 ± 0.004 Å
α	104.518 ± 0.015°
β	111.092 ± 0.013°
γ	91.857 ± 0.017°
Cell volume	945.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1418
Residual factor for significantly intense reflections	0.1379
Weighted residual factors for significantly intense reflections	0.3351
Weighted residual factors for all reflections included in the refinement	0.3439
Goodness-of-fit parameter for all reflections included in the refinement	1.494
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001214.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001214.cif
41919	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001214 via cif-deposit CGI script.	4001214.cif