Information card for entry 4060840

Structure parameters

• Formula: C58 H66 F6 N4 O6 P2 Pd2 S2
• Calculated formula: C58 H66 F6 N4 O6 P2 Pd2 S2
• SMILES: [Pd]([Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[N]C(C)(C)C)C#[N]C(C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and Reactivity toward Isonitriles of (2-Aminoaryl)palladium(II) Complexes
• Authors of publication: José Vicente; José-Antonio Abad; Andrew D. Frankland; Joaquín López-Serrano; M. Carmen Ramírez de Arellano; Peter G. Jones
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Pages of publication: 272 - 282
• a: 43.682 ± 0.008 Å
• b: 14.327 ± 0.003 Å
• c: 20.743 ± 0.004 Å
• α: 90°
• β: 102.67 ± 0.02°
• γ: 90°
• Cell volume: 12665 ± 4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No