Crystallography Open Database

Information card for entry 7112645

Preview

Coordinates	7112645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 Al Cl6 F3 Mg2 O7
Calculated formula	C31 H52 Al Cl6 F3 Mg2 O7
Title of publication	Enhanced oxidative stability of non-Grignard magnesium electrolytes through ligand modification
Authors of publication	Emily G. Nelson; Jeff W. Kampf; Bart M. Bartlett
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5193
a	19.9228 ± 0.0004 Å
b	15.0009 ± 0.0003 Å
c	28.215 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8432.3 ± 0.6 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180240 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/26.	7112645.cif
111526	2014-04-24	cif/ Adding structures of 7112644, 7112645 via cif-deposit CGI script.	7112645.cif