Information card for entry 4311088

Structure parameters

• Chemical name: chloro(tris(1'-methyl(1,2-dicarba-closo- dodecaboran-1-yl))phosphine)gold (I)
• Formula: C9 H39 Au B30 Cl P
• Calculated formula: C9 H39 Au B30 Cl P
• SMILES: [Au]([P](C[C]1234[CH]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)(C[C]1234[CH]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)C[C]1234[CH]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)Cl
• Title of publication: Sterically Hindered and Robust Pnictogen Ligands Derived from Carboranes: Synthesis and X-ray Structure Determination of Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine, Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))arsine and Chloro(Tris(1'-methyl(1,2-dicarba-closo-dodecaboran-1-yl))phosphine)gold(I)
• Authors of publication: Arienne S. King; George Ferguson; James F. Britten; John F. Valliant
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3507 - 3513
• a: 19.101 ± 0.004 Å
• b: 12.167 ± 0.002 Å
• c: 13.846 ± 0.003 Å
• α: 90°
• β: 91.13 ± 0.03°
• γ: 90°
• Cell volume: 3217.2 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No