Information card for entry 4107042

Structure parameters

• Common name: [(tBuPCP)PdOH][HOCH2CH2F]
• Chemical name: (1-FE)
• Formula: C26 H49.38 F0.63 O2 P2 Pd
• Calculated formula: C26 H49.34 F0.66 O2 P2 Pd
• 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: 10.9427 ± 0.0005 Å
• b: 15.7965 ± 0.0007 Å
• c: 32.9696 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5699 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No