Crystallography Open Database

Information card for entry 1548066

Preview

Coordinates	1548066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H39 Al2 Cl10 Mg2 O8
Calculated formula	C16 H39 Al2 Cl10 Mg2 O8
SMILES	[Cl]1[Mg]23([Cl][Mg]451([O](CC[O]4C)C)[O](C)CC[O]5C)([O](C)CC[O]3C)[O](C)CC[O]2C.Cl[Al](Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-]
Title of publication	An efficient organic magnesium borate based electrolyte with non-nucleophilic characteristic for magnesium sulfur battery
Authors of publication	Du, Aobing; Zhang, Zhonghua; Qu, Hongtao; Cui, Zili; Qiao, Lixin; Wang, Longlong; Chai, Jingchao; Lu, Tao; Dong, Shanmu; Dong, Tiantian; Xu, Huimin; Zhou, Xinhong; Cui, Guanglei
Journal of publication	Energy & Environmental Science
Year of publication	2017
a	26.533 ± 0.005 Å
b	7.3366 ± 0.0014 Å
c	19.239 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3745.1 ± 1.3 Å³
Cell temperature	175 K
Ambient diffraction temperature	175.01 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	0.122
Residual factor for significantly intense reflections	0.1035
Weighted residual factors for significantly intense reflections	0.2926
Weighted residual factors for all reflections included in the refinement	0.3032
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
203248 (current)	2017-11-17	cif/ Adding structures of 1548066 via cif-deposit CGI script.	1548066.cif