Information card for entry 4065379

Structure parameters

• Common name: 2a-1464 (ON-Ph) (2a)
• Chemical name: (2-Pyridylamino)diphenylphosphinoxide
• Formula: C17 H15 N2 O P
• Calculated formula: C17 H15 N2 O P
• SMILES: P(=O)(Nc1ncccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, Ligand Dynamics, and Catalytic Activity of Cationic [Pd(η3-allyl)(κ2(E,N)-EN-chelate)]+(E = P, O, S, Se) Complexes
• Authors of publication: Bichler, Bernhard; Veiros, Luis F.; Öztopcu, Özgür; Puchberger, Michael; Mereiter, Kurt; Matsubara, Kouki; Kirchner, Karl A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5928
• a: 11.9613 ± 0.0004 Å
• b: 12.9113 ± 0.0005 Å
• c: 18.9275 ± 0.0007 Å
• α: 90°
• β: 91.215 ± 0.002°
• γ: 90°
• Cell volume: 2922.43 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No