Information card for entry 4080867

Structure parameters

• Formula: C25 H36 Cl F4 N P2 Pd
• Calculated formula: C25 H36 Cl F4 N P2 Pd
• SMILES: [Pd]([P](CC)(CC)CC)(Cl)([P](CC)(CC)CC)c1c(F)c(F)c(c(F)c1F)/C=C/c1ccncc1
• Title of publication: A Phosphine-Accelerated ArF‒Chloride Bond Activation Process by Palladium
• Authors of publication: Orbach, Meital; Zenkina, Olena V.; Diskin-Posner, Yael; Iron, Mark A.; van der Boom, Milko E.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3074
• a: 13.312 ± 0.0004 Å
• b: 11.045 ± 0.0006 Å
• c: 38.614 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5677.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.1084
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No