Information card for entry 7216746

Structure parameters

• Formula: C12 H28 Cl4 Mg2 O6
• Calculated formula: C12 H28 Cl4 Mg2 O6
• SMILES: [Mg]123(Cl)([O](C)CC[O]1CC[O]2C)[Cl][Mg]12(Cl)([O](C)CC[O]1CC[O]2C)[Cl]3
• Title of publication: Novel transmetalation reaction for electrolyte synthesis for rechargeable magnesium batteries
• Authors of publication: Zhao-Karger, Zhirong; Mueller, Jonathan E.; Zhao, Xiangyu; Fuhr, Olaf; Jacob, Timo; Fichtner, Maximilian
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 51
• Pages of publication: 26924
• a: 10.3321 ± 0.0007 Å
• b: 7.5712 ± 0.0007 Å
• c: 14.2704 ± 0.0011 Å
• α: 90°
• β: 110.807 ± 0.005°
• γ: 90°
• Cell volume: 1043.52 ± 0.15 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No