Information card for entry 1548068

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 ų
• 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 Fobs: No