Information card for entry 4088167

Structure parameters

• Formula: C32 H25 Au F4 N P
• Calculated formula: C32 H25 Au F4 N P
• SMILES: [Au]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1c1ncccc1
• Title of publication: C‒H Activation of Fluoroarenes: Synthesis, Structure, and Luminescence Properties of Copper(I) and Gold(I) Complexes Bearing 2-Phenylpyridine Ligands
• Authors of publication: Molteni, Roberto; Edkins, Katharina; Haehnel, Martin; Steffen, Andreas
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 629
• a: 11.5942 ± 0.0005 Å
• b: 12.8526 ± 0.0005 Å
• c: 18.8541 ± 0.0007 Å
• α: 90°
• β: 105.953 ± 0.002°
• γ: 90°
• Cell volume: 2701.35 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No