Information card for entry 4070016

Structure parameters

• Formula: C19 H17 Cl2 N O Pd Se2
• Calculated formula: C19 H17 Cl2 N O Pd Se2
• SMILES: [Pd]12([Se](Cc3[n]2c(ccc3)C[Se]1c1ccccc1)c1ccccc1)Cl.[Cl-].O
• 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: 11.447 ± 0.002 Å
• b: 10.947 ± 0.002 Å
• c: 35.508 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4449.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No