Information card for entry 7008459

Structure parameters

• Formula: C30 H48 F5 N3 O6 Pd
• Calculated formula: C30 H48 F5 N3 O6 Pd
• SMILES: [Pd](N1C(=O)CCC1=O)(c1c(c(c(c(c1F)F)F)F)F)(N1C(=O)CCC1=O)[OH2].C(CCC)[N+](CCCC)(CCCC)CCCC.O
• Title of publication: Pentafluorophenyl imidato palladium(II) complexes: catalysts for Suzuki cross-coupling reactions.
• Authors of publication: Ruiz, José; Vicente, Consuelo; Cutillas, Natalia; Pérez, José
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 1999 - 2006
• a: 10.3563 ± 0.0005 Å
• b: 41.962 ± 0.0018 Å
• c: 24.423 ± 0.0011 Å
• α: 90°
• β: 97.77 ± 0.01°
• γ: 90°
• Cell volume: 10516.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No