Information card for entry 2102675

Structure parameters

• Common name: Lithium tetrakis-ethylenecarbonate bis(oxalato)borate
• Chemical name: Lithium tetrakis-ethylenecarbonate bis(oxalato)borate
• Formula: C16 H16 B Li O20
• Calculated formula: C16 H16 B Li O20
• SMILES: [B]12(OC(=O)C(=O)O1)OC(=O)C(=O)O2.C1COC(O1)=[O][Li]([O]=C1OCCO1)([O]=C1OCCO1)[O]=C1OCCO1
• 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: 10.2343 ± 0.0005 Å
• b: 10.2343 ± 0.0005 Å
• c: 10.8245 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1133.77 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0499
• 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