Information card for entry 4107045

Structure parameters

• Common name: (tBuPCP)PdOCH2C(CH3)3
• Chemical name: (7)
• Formula: C29 H54 O P2 Pd
• Calculated formula: C29 H54 O P2 Pd
• SMILES: [Pd]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)OCC(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: 11.2995 ± 0.0003 Å
• b: 11.457 ± 0.0003 Å
• c: 25.5594 ± 0.0007 Å
• α: 87.864 ± 0.002°
• β: 89.579 ± 0.001°
• γ: 68.387 ± 0.001°
• Cell volume: 3074.03 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No