Information card for entry 2004600

Structure parameters

• Chemical name: Lithiumtetrapenylborate-Dihydrate-Bis(tetrahydrofuran)
• Formula: C32 H40 B Li O4
• Calculated formula: C32 H40 B Li O4
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Li]([OH2])([OH2])([O]1CCCC1)[O]1CCCC1
• Title of publication: Lithium Tetraphenylborate.2thf.2H~2~O
• Authors of publication: Schödel, H.; Vaupel, T.; Bock, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 637 - 640
• a: 17.252 ± 0.003 Å
• b: 16.565 ± 0.003 Å
• c: 10.422 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2978.4 ± 0.9 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.1607
• Weighted residual factors for significantly intense reflections: 0.1392
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No