Information card for entry 4063264

Structure parameters

• Formula: C30 H37 N2 P Pd
• Calculated formula: C30 H37 N2 P Pd
• SMILES: C1N2C(N(C=C2)c2c(cccc2C(C)C)C(C)C)=[Pd](C)(C)[P]1(c1ccccc1)c1ccccc1
• Title of publication: Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes
• Authors of publication: Andreas A. Danopoulos; Nikolaos Tsoureas; Stuart A. Macgregor; Christopher Smith
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 253 - 263
• a: 10.031 ± 0.013 Å
• b: 11.34 ± 0.02 Å
• c: 24.499 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2787 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No