Crystallography Open Database

Information card for entry 1548065

Preview

Coordinates	1548065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H73 Al Cl6 Mg2 N O7 Si2
Calculated formula	C34 H73 Al Cl6 Mg2 N O7 Si2
SMILES	[Cl]1[Mg]2([Cl][Mg]1([Cl]2)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.Cl[Al](Cl)(Cl)N([Si](C)(C)C)[Si](C)(C)C.O1CCCC1
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	11.5604 ± 0.0009 Å
b	13.805 ± 0.0011 Å
c	31.203 ± 0.003 Å
α	90°
β	93.357 ± 0.002°
γ	90°
Cell volume	4971.2 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1659
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.222
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
203247 (current)	2017-11-17	cif/ Adding structures of 1548065 via cif-deposit CGI script.	1548065.cif