Information card for entry 4312553

Structure parameters

• Formula: C64 H52 Cl2 O8 P4 Pd
• Calculated formula: C64 H52 Cl2 O8 P4 Pd
• SMILES: [Pd](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)/C=C(/c1ccccc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)[P](c1ccccc1)(c1ccccc1)/C=C(/c1ccccc1)OP(=O)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Enolphosphato-Phosphines: A New Class of P,O Ligands
• Authors of publication: Xavier Morise; Pierre Braunstein; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7752 - 7765
• a: 12.403 Å
• b: 13.622 Å
• c: 18.275 Å
• α: 71.93°
• β: 86.04°
• γ: 77.52°
• Cell volume: 2865.98 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No