Crystallography Open Database

Information card for entry 1548067

Preview

Coordinates	1548067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H68 B2 Cl6 F48 Mg4 O20
Calculated formula	C48 H68 B2 Cl6 F48 Mg4 O20
SMILES	[Mg]123([O](C)CC[O]1C)([O](C)CC[O]2C)[Cl][Mg]12([Cl]3)([O](C)CC[O]1C)[Cl][Mg]13([Cl]2)([O](C)CC[O]1C)[Cl][Mg]12([O](C)CC[O]1C)([O](C)CC[O]2C)[Cl]3.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.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	36.905 ± 0.005 Å
b	13.215 ± 0.002 Å
c	20.962 ± 0.003 Å
α	90°
β	121.44 ± 0.003°
γ	90°
Cell volume	8722 ± 2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
203249 (current)	2017-11-17	cif/ Adding structures of 1548067 via cif-deposit CGI script.	1548067.cif