Information card for entry 7013373

Structure parameters

• Common name: diisopropylammonium (mu-3-(3-phenyl)-2-sulfanylatepropenoate- kappaS-triphenylphosphine-kappaP-aurate(-1)
• Chemical name: diisopropylammonium {mu-3-(3-phenyl)-2-sulfanylatepropenoate- kappaS-triphenylphosphine-kappaP-aurate(-1)
• Formula: C33 H37 Au N O2 P S
• Calculated formula: C33 H37 Au N O2 P S
• SMILES: [Au]12(SC(=C\c3ccccc3)\C(=[O]1)O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[NH2+](C(C)C)C(C)C
• Title of publication: Au‒O Interactions and others in triphenylphosphinegold(I) sulfanylpropenoates with diverse structures
• Authors of publication: Elena Barreiro; José S. Casas; María D. Couce; Agustín Sánchez; José Sordo; José M. Varela; Ezequiel M. Vázquez-López
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4754 - 4761
• a: 9.8237 ± 0.0012 Å
• b: 13.9493 ± 0.0017 Å
• c: 23.244 ± 0.003 Å
• α: 90°
• β: 101.027 ± 0.003°
• γ: 90°
• Cell volume: 3126.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2273
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.691
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No