Information card for entry 4112536

Structure parameters

• Formula: C42 H62 B2 F8 O3 P4 Pd
• Calculated formula: C42 H58 B2 F8 O3 P4 Pd
• 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: 12.423 ± 0.01 Å
• b: 22.881 ± 0.017 Å
• c: 16.794 ± 0.013 Å
• α: 90°
• β: 100.713 ± 0.015°
• γ: 90°
• Cell volume: 4691 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No