Information card for entry 4317226

Structure parameters

• Formula: C68 H72 B2 Li2 O20 P4
• Calculated formula: C68 H72 B2 Li2 O20 P4
• SMILES: P1(=[O]2[Li]([O]=P(O[B]3(OC(=O)C(=O)O3)O1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1=P(O[B]3(OC(=O)C(=O)O3)OP(=[O][Li]21[O]1CCCC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1.C1CCCO1
• Title of publication: A Hybrid Lithium Oxalate-Phosphinate Salt
• Authors of publication: Andrew R. Shaffer; Nihal Deligonul; Daniel A. Scherson; John D. Protasiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10756 - 10758
• a: 11.8482 ± 0.0018 Å
• b: 12.6011 ± 0.0019 Å
• c: 13.003 ± 0.002 Å
• α: 106.611 ± 0.002°
• β: 97.425 ± 0.002°
• γ: 106.47 ± 0.002°
• Cell volume: 1736.7 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No