Information card for entry 7006027

Structure parameters

• Formula: C24 H32 N4 O2 Pd2
• Calculated formula: C24 H32 N4 O2 Pd2
• SMILES: [O]1=C2N(C)c3cccc4c3[Pd]2([N](CC4)(C)C)[O]=C2N(C)c3cccc4c3[Pd]12[N](CC4)(C)C
• Title of publication: N,N-Dialkyl-2-iodoanilines: a versatile source for the synthesis of Pd(ii) complexes. Synthesis of novel OCP- and CCN-pincer palladium complexes.
• Authors of publication: Solé, Daniel; Solans, Xavier; Font-Bardia, Mercé
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4286 - 4292
• a: 7.688 ± 0.005 Å
• b: 11.928 ± 0.007 Å
• c: 25.54 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No