Information card for entry 4313112

Structure parameters

• Formula: C25 H33 B10 P
• Calculated formula: C25 H33 B10 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.[BH]1234[BH]5678[BH]9%101[BH]1%112[BH]235([BH]356[BH]679[BH]7%101[BH]%1123[BH]567)[H]48
• Title of publication: The Solid State Structure of [B10H11]- and Its Dynamic NMR Spectra in Solution
• Authors of publication: Sheldon G. Shore; Ewan J. M. Hamilton; Adam N. Bridges; Joseph Bausch; Jeanette A. Krause-Bauer; Danan Dou; Jianping Liu; Shengming Liu; Bin Du; Heather Hall; Edward A. Meyers; Karl E. Vermillion
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1175 - 1186
• a: 10.0222 ± 0.001 Å
• b: 18.897 ± 0.002 Å
• c: 15.121 ± 0.002 Å
• α: 90°
• β: 107.934 ± 0.006°
• γ: 90°
• Cell volume: 2724.6 ± 0.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1162
• Weighted residual factors for significantly intense reflections: 0.1037
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No