Crystallography Open Database

Information card for entry 1547899

Preview

Coordinates	1547899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H40 Al2 Cl10 Mg2 O8
Calculated formula	C16 H40 Al2 Cl10 Mg2 O8
SMILES	[Mg]123([Cl][Mg]45([O](C)CC[O]4C)([O](C)CC[O]5C)[Cl]3)([O](C)CC[O]1C)[O](CC[O]2C)C.Cl[Al](Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-]
Title of publication	Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research
Authors of publication	Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2017
Journal volume	121
Journal issue	45
Pages of publication	24909
a	26.523 ± 0.003 Å
b	7.284 ± 0.0007 Å
c	19.1745 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3704.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0241
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0391
Weighted residual factors for all reflections included in the refinement	0.0417
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
203992 (current)	2017-12-05	cif/ Updating files of 1547897, 1547898, 1547899, 1547900, 1547901 Original log message: Adding full bibliography for 1547897--1547901.cif.	1547899.cif
202926	2017-11-08	cif/ Adding structures of 1547899 via cif-deposit CGI script.	1547899.cif