Information card for entry 1507277

Structure parameters

• Formula: C15 H19 Cl2 N3 O2 Pd S
• Calculated formula: C15 H19 Cl2 N3 O2 Pd S
• SMILES: [Pd]1(Cl)(Cl)[n]2c(cccc2)C(c2[n]1cccc2)NC(=O)C.S(=O)(C)C
• Title of publication: Di-2-pyridylmethylamine-based palladium complexes as new catalysts for Heck, Suzuki, and Sonogashira reactions in organic and aqueous solvents.
• Authors of publication: Nájera, Carmen; Gil-Moltó, Juan; Karlström, Sofia; Falvello, Larry R.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1451 - 1454
• a: 9.6111 ± 0.0009 Å
• b: 14.6706 ± 0.0011 Å
• c: 13.4125 ± 0.0006 Å
• α: 90°
• β: 96.16 ± 0.005°
• γ: 90°
• Cell volume: 1880.3 ± 0.2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No