Information card for entry 4087621

Structure parameters

• Formula: C28 H47 P3 Pd
• Calculated formula: C28 H47 P3 Pd
• SMILES: [Pd]1([P](c2c(Cc3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C)[P](C)(C)C
• 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: 15.787 ± 0.002 Å
• b: 19.844 ± 0.002 Å
• c: 18.551 ± 0.002 Å
• α: 90°
• β: 94.406 ± 0.003°
• γ: 90°
• Cell volume: 5794.4 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0374
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No