Information card for entry 4337805

Structure parameters

• Formula: C25 H25 Au N P S2
• Calculated formula: C25 H25 Au N P S2
• SMILES: [Au](SC(=S)N(CC=C)CC=C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ring-closing metathesis and nanoparticle formation based on diallyldithiocarbamate complexes of gold(i): synthetic, structural, and computational studies.
• Authors of publication: Naeem, Saira; Serapian, Stefano A.; Toscani, Anita; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D E T
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2404 - 2416
• a: 12.94805 ± 0.00015 Å
• b: 12.83389 ± 0.00014 Å
• c: 14.34358 ± 0.00015 Å
• α: 90°
• β: 91.0548 ± 0.001°
• γ: 90°
• Cell volume: 2383.12 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No