Information card for entry 7000781

Structure parameters

• Formula: C18 H32 Cl2 N4 O2 Pd
• Calculated formula: C18 H32 Cl2 N4 O2 Pd
• SMILES: C1(CC)=[N]([C@@H]2CCC(C)(C)N2O1)[Pd]([N]1=C(CC)ON2C(C)(C)CC[C@H]12)(Cl)Cl
• 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: 11.6844 ± 0.0014 Å
• b: 6.6806 ± 0.0008 Å
• c: 14.2895 ± 0.0018 Å
• α: 90°
• β: 91.092 ± 0.003°
• γ: 90°
• Cell volume: 1115.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No