Information card for entry 4321085

Structure parameters

• Formula: C56 H50 O2 P4 Pd
• Calculated formula: C56 H50 O2 P4 Pd
• SMILES: c1(ccccc1)P1(c2ccccc2)=C[P]([Pd]2([P](c3ccccc3)(c3ccccc3)C=P(c3ccccc3)(c3ccccc3)[C@@H]2C(=O)C)[C@H]1C(=O)C)(c1ccccc1)c1ccccc1.c1(ccccc1)P1(c2ccccc2)=C[P]([Pd]2([P](c3ccccc3)(c3ccccc3)C=P(c3ccccc3)(c3ccccc3)[C@H]2C(=O)C)[C@@H]1C(=O)C)(c1ccccc1)c1ccccc1
• Title of publication: Reactivity of Pd(0) Complexes with the Phosphino Ylide [Ph2PCH2PPh2C(H)C(O)Me]. Molecular Structure of [Pd(PPh2CHPPh2C(H)C(O)Me)2]
• Authors of publication: Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2957 - 2960
• a: 16.443 ± 0.003 Å
• b: 17.7206 ± 0.0017 Å
• c: 16.871 ± 0.003 Å
• α: 90°
• β: 108.236 ± 0.017°
• γ: 90°
• Cell volume: 4669 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No