Information card for entry 4107043

Structure parameters

• Common name: (tBuPCP)PdOC6H5
• Chemical name: (5)
• Formula: C30 H48 O P2 Pd
• Calculated formula: C30 H48 O P2 Pd
• SMILES: c12c3cccc1C[P](C(C)(C)C)(C(C)(C)C)[Pd]2(Oc1ccccc1)[P](C3)(C(C)(C)C)C(C)(C)C
• Title of publication: Hydrogenolysis of Palladium(II) Hydroxide, Phenoxide, and Alkoxide Complexes
• Authors of publication: Gregory R. Fulmer; Alexandra N. Herndon; Werner Kaminsky; Richard A. Kemp; Karen I. Goldberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17713 - 17726
• a: 10.6351 ± 0.0002 Å
• b: 13.2125 ± 0.0002 Å
• c: 21.314 ± 0.0003 Å
• α: 90°
• β: 103.081 ± 0.001°
• γ: 90°
• Cell volume: 2917.25 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No