Information card for entry 7000783

Structure parameters

• Formula: C26 H30 Cl2 F2 N4 O2 Pd
• Calculated formula: C26 H30 Cl2 F2 N4 O2 Pd
• SMILES: C1(C)(CCC(=[N]1[Pd]([N]1C(C)(C)CCC=1NC(=O)c1ccc(F)cc1)(Cl)Cl)NC(=O)c1ccc(F)cc1)C
• Title of publication: PdII-promoted [2 + 3] cycloaddition of pyrroline N-oxide to organonitriles. Application of (Δ4-1,2,4-oxadiazoline)-PdII complexes in the Suzuki‒Miyaura reaction
• Authors of publication: Lasri, Jamal; da Silva, M. Fátima C. Guedes; Kopylovich, Maximilian N.; Mukhopadhyay, Suman; Charmier, M. Adília Januário; Pombeiro, Armando J. L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 12
• Pages of publication: 2210 - 2216
• a: 7.309 ± 0.0014 Å
• b: 9.408 ± 0.0018 Å
• c: 10.818 ± 0.002 Å
• α: 105.666 ± 0.011°
• β: 105.464 ± 0.012°
• γ: 102.764 ± 0.01°
• Cell volume: 655 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No