Information card for entry 4065380

Structure parameters

• Common name: 2b-1478 (ON-iPr) (2b)
• Chemical name: (2-Pyridylamino)diispropylphosphinoxide
• Formula: C11 H19 N2 O P
• Calculated formula: C11 H19 N2 O P
• SMILES: P(=O)(Nc1ncccc1)(C(C)C)C(C)C
• 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: 35.268 ± 0.005 Å
• b: 7.6415 ± 0.001 Å
• c: 20.441 ± 0.003 Å
• α: 90°
• β: 115.955 ± 0.001°
• γ: 90°
• Cell volume: 4953.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No