Information card for entry 2005605

Structure parameters

• Formula: C18 H38 B9 P S
• Calculated formula: C18 H38 B9 P S
• SMILES: [P]([BH]12[BH]345[BH]678[BH]9%10%11[BH]%1236[BH]3%11([S]%10[BH]679[H][BH]2568)[H][BH]134%12)(c1ccccc1)(C1CCCCC1)C1CCCCC1
• Title of publication: 9-Dicyclohexylphenylphosphino-<i>arachno</i>-6-thiadecaborane(11)
• Authors of publication: Rosair, G. M.; Welch, A. J.; Weller, A. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2851 - 2853
• a: 10.432 ± 0.002 Å
• b: 15.737 ± 0.003 Å
• c: 15.406 ± 0.003 Å
• α: 90°
• β: 96.57 ± 0.02°
• γ: 90°
• Cell volume: 2512.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1839
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.188
• Weighted residual factors for significantly intense reflections: 0.1316
• Goodness-of-fit parameter for all reflections: 0.995
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No