Crystallography Open Database

Information card for entry 4114238

Preview

Coordinates	4114238.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	02054
Formula	C7 H12.38 F3 Li O6 S
Calculated formula	C7 H12.372 F3 Li O6 S
Title of publication	Single-Crystal Structures of Polymer Electrolytes
Authors of publication	Wesley A. Henderson; Neil R. Brooks; Victor G. Young
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12098 - 12099
a	10.0678 ± 0.0016 Å
b	8.5275 ± 0.0014 Å
c	14.399 ± 0.002 Å
α	90°
β	96.023 ± 0.003°
γ	90°
Cell volume	1229.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4114238.cif
178913	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/42.	4114238.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114238.cif
67523	2012-09-27	cif/ Adding structures of 4114238 via cif-deposit CGI script.	4114238.cif