Information card for entry 4112534

Structure parameters

• Formula: C46 H64 O2 P4 Pd
• Calculated formula: C46 H64 O2 P4 Pd
• SMILES: [Pd]12([P](c3cccc4C(c5cccc([P]1(CC)CC)c5Oc34)(C)C)(CC)CC)[P](c1cccc3C(c4cccc([P]2(CC)CC)c4Oc13)(C)C)(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: 11.087 ± 0.002 Å
• b: 14.17 ± 0.003 Å
• c: 15.859 ± 0.003 Å
• α: 90.503 ± 0.003°
• β: 109.192 ± 0.003°
• γ: 106.287 ± 0.003°
• Cell volume: 2244.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No