Information card for entry 4088171

Structure parameters

• Formula: C42 H31 Br F4 P2 Pd
• Calculated formula: C42 H31 Br F4 P2 Pd
• 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: 12.109 ± 0.0003 Å
• b: 23.1668 ± 0.0006 Å
• c: 25.8891 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7262.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• 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: Yes
• Has Fobs: No