Crystallography Open Database

Information card for entry 4312026

4312025 << 4312026 >> 4312027

Preview

Coordinates	4312026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 B4 F12 Li2 N4 O12
Calculated formula	C26 H26 B4 F12 Li2 N4 O12
SMILES	[B](F)(F)([F][Li]1([O]=C2OCCO2)[O]=C2OCCO2)[n]2cn(c3c2cccc3)[B](F)(F)[F][Li]([O]=C2OCCO2)([O]=C2OCCO2)[F][B](F)(F)[n]2cn(c3c2cccc3)[B](F)(F)[F]1
Title of publication	New Family of Lithium Salts for Highly Conductive Nonaqueous Electrolytes
Authors of publication	Thomas J. Barbarich; Peter F. Driscoll; Suzette Izquierdo; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7764 - 7773
a	8.24 ± 0.03 Å
b	9.4 ± 0.04 Å
c	12.17 ± 0.05 Å
α	96.28 ± 0.09°
β	91.71 ± 0.09°
γ	109.51 ± 0.08°
Cell volume	881 ± 6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1964
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179159 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20.	4312026.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312026.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312026.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4312026.cif
3531	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312026 via cif-deposit CGI script.	4312026.cif