Information card for entry 7020350

Structure parameters

• Formula: C30 H46 N O P Pd
• Calculated formula: C30 H46 N O P Pd
• SMILES: c1cccc2c1C(C)(C)C[Pd]12[N](=C(C)O[P]1(C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Migratory insertion reactions of nickel and palladium σ-alkyl complexes with a phosphinito-imine ligand.
• Authors of publication: Ortiz de la Tabla, Laura; Matas, Inmaculada; Alvarez, Eleuterio; Palma, Pilar; Cámpora, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14524 - 14539
• a: 10.3755 ± 0.0012 Å
• b: 47.445 ± 0.006 Å
• c: 12.2103 ± 0.0016 Å
• α: 90°
• β: 90.737 ± 0.005°
• γ: 90°
• Cell volume: 6010.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No