Information card for entry 4112538

Structure parameters

• Formula: C32 H56 P4 Pd
• Calculated formula: C32 H56 P4 Pd
• SMILES: [Pd]12([P](Cc3ccccc3C[P]2(CC)CC)(CC)CC)[P](Cc2ccccc2C[P]1(CC)CC)(CC)CC
• 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: 10.035 ± 0.005 Å
• b: 10.316 ± 0.005 Å
• c: 18.247 ± 0.009 Å
• α: 80.89 ± 0.009°
• β: 79.214 ± 0.009°
• γ: 66.363 ± 0.008°
• Cell volume: 1692.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No