Information card for entry 4085720

Structure parameters

• Formula: C22 H39 I N P Pd
• Calculated formula: C22 H39 I N P Pd
• SMILES: [Pd]12(I)[P](Cc3c2c(ccc3)C[N]1(CCC)CCC)(C(C)(C)C)C(C)(C)C
• 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: 15.7626 ± 0.0005 Å
• b: 8.4662 ± 0.0003 Å
• c: 37.0054 ± 0.0009 Å
• α: 90°
• β: 91.874 ± 0.002°
• γ: 90°
• Cell volume: 4935.7 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0818
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No