Crystallography Open Database

Information card for entry 1548068

Preview

Coordinates	1548068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 B Cl3 F24 Mg2 O10
Calculated formula	C36 H52 B Cl3 F24 Mg2 O10
SMILES	[Mg]12([O]3CCCC3)([O]3CCCC3)([O]3CCCC3)[Cl][Mg]([Cl]1)([Cl]2)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.FC(F)(F)C(O[B](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
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	13.389 ± 0.005 Å
b	14.252 ± 0.005 Å
c	16.825 ± 0.006 Å
α	108.785 ± 0.01°
β	90.513 ± 0.01°
γ	114.274 ± 0.009°
Cell volume	2733.4 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2889
Residual factor for significantly intense reflections	0.1167
Weighted residual factors for significantly intense reflections	0.2898
Weighted residual factors for all reflections included in the refinement	0.3644
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203250 (current)	2017-11-17	cif/ Adding structures of 1548068 via cif-deposit CGI script.	1548068.cif