Information card for entry 4317227

Structure parameters

• Formula: C56 H58 Li2 O10 P4
• Calculated formula: C56 H58 Li2 O10 P4
• SMILES: P([O]1[Li]([O]=P(O)(c2ccccc2)c2ccccc2)([O]2CCCC2)[O](P(=O)(c2ccccc2)c2ccccc2)[Li]1([O]=P(O)(c1ccccc1)c1ccccc1)[O]1CCCC1)(=O)(c1ccccc1)c1ccccc1
• 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: 10.6895 ± 0.0011 Å
• b: 11.5033 ± 0.0012 Å
• c: 12.1994 ± 0.0013 Å
• α: 109.224 ± 0.001°
• β: 107.371 ± 0.001°
• γ: 98.158 ± 0.001°
• Cell volume: 1302.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No