Information card for entry 7003446

Structure parameters

• Formula: C14 H29 B9 I P
• Calculated formula: C14 H28 B9 I P
• Title of publication: Influence of the solvent and R groups on the structure of (carboranyl)R2PI2 compounds in solution. Crystal structure of the first iodophosphonium salt incorporating the anion [7,8-nido-C2B9H10]−
• Authors of publication: Núñez, Rosario; Teixidor, Francesc; Kivekäs, Raikko; Sillanpää, Reijo; Viñas, Clara
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1471 - 1480
• a: 9.2325 ± 0.0009 Å
• b: 24.884 ± 0.007 Å
• c: 10.308 ± 0.002 Å
• α: 90°
• β: 111.607 ± 0.013°
• γ: 90°
• Cell volume: 2201.8 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No