Information card for entry 4087618

Structure parameters

• Formula: C27 H39 N P2 Pd
• Calculated formula: C27 H39 N P2 Pd
• Title of publication: C‒H Activation Reactions of a Nucleophilic Palladium Carbene
• Authors of publication: Comanescu, Cezar C.; Iluc, Vlad M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4684
• a: 9.9324 ± 0.0009 Å
• b: 17.1096 ± 0.0016 Å
• c: 17.6073 ± 0.0016 Å
• α: 62.173 ± 0.0012°
• β: 81.5125 ± 0.0013°
• γ: 89.5284 ± 0.0013°
• Cell volume: 2610.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No