Information card for entry 4088166

Structure parameters

• Formula: C39 H42 Au Cl2 F4 N3
• Calculated formula: C39 H42 Au Cl2 F4 N3
• SMILES: [Au](=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)c1c(c2ncccc2)c(F)c(F)c(F)c1F.ClCCl
• 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: 12.6115 ± 0.0011 Å
• b: 13.9289 ± 0.0012 Å
• c: 21.3841 ± 0.0019 Å
• α: 90°
• β: 97.527 ± 0.003°
• γ: 90°
• Cell volume: 3724.1 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0281
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No