Information card for entry 7050907

Structure parameters

• Formula: C41 H42 F6 N O2 P3 Pd
• Calculated formula: C41 H42 F6 N O2 P3 Pd
• SMILES: c12C=[N](C3CCCCC3)[Pd]3(c2cc(cc1OC)OC)[P](C(=C)[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.F[P](F)(F)(F)(F)[F-]
• 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: 16.9482 ± 0.0003 Å
• b: 17.549 ± 0.0001 Å
• c: 18.0086 ± 0.0003 Å
• α: 61.78 ± 0.001°
• β: 64.065 ± 0.001°
• γ: 66.171 ± 0.001°
• Cell volume: 4110.71 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No