Information card for entry 2006901

Structure parameters

• Formula: C20 H25 Au B10 Cl P
• Calculated formula: C20 H25 Au B10 Cl P
• SMILES: [Au](Cl)[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-[Chloro(diphenylphosphino)gold(I)-<i>P</i>]-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
• Authors of publication: McWhannell, M. Anna; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 13 - 15
• a: 9.6749 ± 0.0008 Å
• b: 14.531 ± 0.002 Å
• c: 18.053 ± 0.002 Å
• α: 90°
• β: 101.462 ± 0.007°
• γ: 90°
• Cell volume: 2487.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0993
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No