Information card for entry 1548067

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 ų
• 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 Fobs: No