Information card for entry 2005754

Structure parameters

• Formula: C20 H25 B10 P
• Calculated formula: C20 H25 B10 P
• SMILES: P([C]1234[C]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 1-Diphenylphosphino-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
• Authors of publication: McWhannell, M. A.; Rosair, G. M.; Welch, A. J.; Teixidor, F.; Viñas, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3135 - 3138
• a: 23.896 ± 0.002 Å
• b: 10.608 ± 0.004 Å
• c: 20.173 ± 0.003 Å
• α: 90°
• β: 114.218 ± 0.006°
• γ: 90°
• Cell volume: 4663.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1776
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections: 0.181
• Weighted residual factors for significantly intense reflections: 0.1294
• Goodness-of-fit parameter for all reflections: 0.988
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No