Information card for entry 4112539

Structure parameters

• Formula: C16 H28 B F4 P2 Pd0.5
• Calculated formula: C16 H28 B F4 P2 Pd0.5
• Title of publication: Using Ligand Bite Angles To Control the Hydricity of Palladium Diphosphine Complexes
• Authors of publication: James W. Raebiger; Alex Miedaner; Calvin J. Curtis; Susie M. Miller; Oren P. Anderson; Daniel L. DuBois
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5502 - 5514
• a: 19.58 ± 0.02 Å
• b: 11.555 ± 0.013 Å
• c: 16.865 ± 0.019 Å
• α: 90°
• β: 99.802 ± 0.019°
• γ: 90°
• Cell volume: 3760 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No