Information card for entry 2102672

Structure parameters

• Common name: Lithium bis(oxalato)borate acetone
• Chemical name: Lithium bis(oxalato)borate acetone
• Formula: C8 H8 B Li O9.33
• Calculated formula: C8.002 H8.004 B Li O9.334
• 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: 16.3987 ± 0.0016 Å
• b: 7.6308 ± 0.0007 Å
• c: 10.9904 ± 0.0011 Å
• α: 90°
• β: 121.201 ± 0.002°
• γ: 90°
• Cell volume: 1176.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1293
• 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