Information card for entry 4070017

Structure parameters

• Formula: C19 H17 Cl5 N Na Pd2 Se2
• Calculated formula: C19 H17 Cl5 N Na Pd2 Se2
• SMILES: c1ccccc1[Se]1Cc2cccc(C[Se]3c4ccccc4)[n]2[Pd]13Cl.Cl[Pd](Cl)([Cl-])[Cl-].[Na+]
• Title of publication: Palladium(II) Complexes of the First Pincer (Se,N,Se) Ligand, 2,6-Bis((phenylseleno)methyl)pyridine (L): Solvent-Dependent Formation of [PdCl(L)]Cl and Na[PdCl(L)][PdCl4] and High Catalytic Activity for the Heck Reaction
• Authors of publication: Das, Dipanwita; Rao, G. K.; Singh, Ajai K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 6054
• a: 8.792 ± 0.003 Å
• b: 12.411 ± 0.004 Å
• c: 12.624 ± 0.004 Å
• α: 76.084 ± 0.006°
• β: 84.604 ± 0.006°
• γ: 82.053 ± 0.006°
• Cell volume: 1321.6 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No