Information card for entry 7008460

Structure parameters

• Formula: C35 H57 F5 N4 O6 Pd
• Calculated formula: C35 H57 F5 N4 O6 Pd
• SMILES: [Pd](N1C(=O)CCC1=O)(c1c(c(F)c(c(c1F)F)F)F)(N1C(=O)CCC1=O)C#[N]C(C)(C)C.[N+](CCCC)(CCCC)(CCCC)CCCC.O.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: 10.1604 ± 0.0005 Å
• b: 10.3459 ± 0.0005 Å
• c: 20.501 ± 0.001 Å
• α: 82.113 ± 0.001°
• β: 80.426 ± 0.001°
• γ: 69.3144 ± 0.0008°
• Cell volume: 1980.82 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No