Information card for entry 7115991

Structure parameters

• Formula: C40 H58 Al Au Cl5 P S
• Calculated formula: C40 H58 Al Au Cl5 P S
• SMILES: [Au]([P](C(=C\c1ccccc1)\[Al](Cl)(C(C)(C)C)C(C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[S]1CCCC1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Novel zwitterionic complexes arising from the coordination of an ambiphilic phosphorus-aluminum ligand to gold
• Authors of publication: Marc Devillard; Emmanuel Nicolas; Christian Appelt; Jana Backs; Sonia Mallet-Ladeira; Ghenwa; Bouhadir'; J. Chris Slootweg; Werner Uhl; Didier Bourissou
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14805
• a: 11.5952 ± 0.0006 Å
• b: 11.6324 ± 0.0007 Å
• c: 18.2333 ± 0.0011 Å
• α: 100.951 ± 0.002°
• β: 92.293 ± 0.002°
• γ: 114.534 ± 0.002°
• Cell volume: 2177 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No