Information card for entry 7020351

Structure parameters

• Formula: C30 H46 N O P Pd
• Calculated formula: C30 H46 N O P Pd
• SMILES: [Pd]12([P](N(C(=[O]1)C)c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)c1ccccc1C(C2)(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: 15.6645 ± 0.0005 Å
• b: 12.6885 ± 0.0004 Å
• c: 14.529 ± 0.0005 Å
• α: 90°
• β: 92.674 ± 0.001°
• γ: 90°
• Cell volume: 2884.63 ± 0.16 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: 0.0245
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No