Crystallography Open Database

Information card for entry 4001212

Preview

Coordinates	4001212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 As2 F12 Li2 O9
Calculated formula	C18 H38 As2 F12 Li2 O9
SMILES	[As](F)(F)(F)(F)(F)[F][Li]123[O]4CC[O]5CC[O]6CC[O](C)[Li]7856[O]3(CC[O]2CC[O]1CC4)CC[O]7CC[O]8C.[As](F)(F)(F)(F)(F)[F-]
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	16.394 ± 0.003 Å
b	11.3514 ± 0.0017 Å
c	17.215 ± 0.003 Å
α	90°
β	108.251 ± 0.005°
γ	90°
Cell volume	3042.5 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
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.	4001212.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001212.cif
41917	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001212 via cif-deposit CGI script.	4001212.cif