Information card for entry 4088169

Structure parameters

• Formula: C41.2 H46.4 Cu F4 N3 O0.8
• Calculated formula: C41.2 H46.4 Cu F4 N3 O0.8
• 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: 12.4322 ± 0.0004 Å
• b: 16.8917 ± 0.0006 Å
• c: 18.3072 ± 0.0007 Å
• α: 90°
• β: 96.772 ± 0.002°
• γ: 90°
• Cell volume: 3817.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0518
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No