Information card for entry 7013375

Structure parameters

• Common name: mu-3-(2-furyl)-2-sulfanylpropenoate-1:2kappaS:2kappaO'- bis(triphenylphosphine-1kappaP,2kappaP)-digold
• Chemical name: mu-3-(2-furyl)-2-sulfanylpropenoate-1:2kappaS:2kappaO'- bis(triphenylphosphine-1kappaP,2kappaP)-digold
• Formula: C45 H42 Au2 O4 P2 S2
• Calculated formula: C44 H38 Au2 O3 P2 S2
• SMILES: [Au]([S](C1=Cc2ccc[s]2)[Au](OC1=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OC
• 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: 21.106 ± 0.003 Å
• b: 13.354 ± 0.002 Å
• c: 16.268 ± 0.002 Å
• α: 90°
• β: 111.56 ± 0.003°
• γ: 90°
• Cell volume: 4264.3 ± 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: 0.2542
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No