Information card for entry 1548065

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 ų
• 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 Fobs: No