Crystallography Open Database

Information card for entry 7239562

Preview

Coordinates	7239562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H63 Al Cl4 Mg2 O6
Calculated formula	C42 H63 Al Cl4 Mg2 O6
Title of publication	A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries
Authors of publication	Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun
Journal of publication	Journal of Materials Chemistry A
Year of publication	2014
Journal volume	2
Journal issue	10
Pages of publication	3430
a	11.7192 ± 0.0012 Å
b	14.7431 ± 0.0014 Å
c	15.6936 ± 0.0016 Å
α	101.118 ± 0.003°
β	105.884 ± 0.003°
γ	109.517 ± 0.003°
Cell volume	2334.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1972
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.375
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
244772 (current)	2019-11-28	cif/ Adding structures of 7239561, 7239562 via cif-deposit CGI script.	7239562.cif