Information card for entry 4073564

Structure parameters

• Formula: C61 H66 Cl10 F2 O2 P2 Pd2
• Calculated formula: C61 H66 Cl10 F2 O2 P2 Pd2
• SMILES: [Pd]1([F][Pd]([P](c2ccccc2C)(c2ccccc2C)c2ccccc2C)([F]1)c1ccc(OC)cc1)([P](c1ccccc1C)(c1ccccc1C)c1ccccc1C)c1ccc(OC)cc1.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: Ar−F Reductive Elimination from Palladium(II) Revisited†
• Authors of publication: Grushin, Vladimir V.; Marshall, William J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 4997
• a: 15.578 ± 0.003 Å
• b: 16.113 ± 0.003 Å
• c: 16.354 ± 0.003 Å
• α: 94.252 ± 0.003°
• β: 113.506 ± 0.003°
• γ: 115.104 ± 0.003°
• Cell volume: 3259.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No