Information card for entry 1552869

Structure parameters

• Formula: C47 H37 Au Cl3 N2 P3
• Calculated formula: C47 H37 Au Cl3 N2 P3
• SMILES: C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#N)[P]([Au]Cl)(C(=[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#N)c1ccccc1.ClCCl
• Title of publication: Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations
• Authors of publication: Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 12.5994 ± 0.0008 Å
• b: 13.2954 ± 0.0008 Å
• c: 13.5256 ± 0.0008 Å
• α: 70.09 ± 0.005°
• β: 84.549 ± 0.005°
• γ: 78.391 ± 0.005°
• Cell volume: 2085.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No