Information card for entry 7013374

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: C43 H34 Au2 O3 P2 S
• Calculated formula: C43 H34 Au2 O3 P2 S
• SMILES: [Au]([S]([Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2))C(=C\c2occc2)/C(O1)=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.8209 ± 0.0008 Å
• b: 17.8496 ± 0.0015 Å
• c: 22.7002 ± 0.0019 Å
• α: 90°
• β: 92.495 ± 0.002°
• γ: 90°
• Cell volume: 3975.6 ± 0.6 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: 0.116
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No