Information card for entry 4085719

Structure parameters

• Formula: C20 H35 I N P Pd
• Calculated formula: C20 H35 I N P Pd
• SMILES: c12c3cccc1C[N](CC)(CC)[Pd]2([P](C3)(C(C)(C)C)C(C)(C)C)I
• Title of publication: Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles
• Authors of publication: Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1627
• a: 18.4969 ± 0.001 Å
• b: 7.9228 ± 0.0006 Å
• c: 30.917 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4530.8 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No