Information card for entry 7050908

Structure parameters

• Formula: C48 H54 F6 N O5 P3 Pd
• Calculated formula: C48 H54 F6 N O5 P3 Pd
• Title of publication: Nucleophilic addition of 1,3-dicarbonyl compounds as a route to functionalized cyclopalladated complexes with chelated 1,1-bis(diphenylphosphino)ethene
• Authors of publication: Roberto Mosteiro; Alberto Fernández; Margarita López-Torres; Digna Vázquez-García; Antonio Suárez; Jesús J. Fernández; José M. Vila
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1425 - 1432
• a: 21.0537 ± 0.0002 Å
• b: 9.722 ± 0.0003 Å
• c: 23.3385 ± 0.0001 Å
• α: 90°
• β: 90.661 ± 0.001°
• γ: 90°
• Cell volume: 4776.7 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No