Information card for entry 2102673

Structure parameters

• Common name: Lithium bis(oxalato)borate dimethoxyethylene
• Chemical name: Lithium bis(oxalato)borate dimethoxyethylene
• Formula: C8 H10 B Li O10
• Calculated formula: C8 H10 B Li O10
• SMILES: [B]12(OC(C(=O)O1)=O)OC(=O)C(=O)O2.[Li]1[O](C)CC[O]1C
• Title of publication: Structural chemistry of new lithium bis(oxalato)borate solvates
• Authors of publication: Zavalij, Peter Y.; Yang, Shoufeng; Whittingham, M. Stanley
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 716 - 724
• a: 8.669 ± 0.0007 Å
• b: 8.8519 ± 0.0007 Å
• c: 9.3328 ± 0.0008 Å
• α: 114.159 ± 0.002°
• β: 94.764 ± 0.002°
• γ: 106.412 ± 0.002°
• Cell volume: 610.46 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No