Information card for entry 7023578

Structure parameters

• Common name: [(PdPEt3)H2L]
• Chemical name: 2,4-Dihydro-5-(2-hydroxyphenyl)-4-((2-hydroxyphenyl)methyleneamino) -1,2,4-triazol-3-ylidene 2-oxybenzaldehyde hydrazono)-(triethylphosphine) -palladium(ii)
• Formula: C28 H31 N6 O3 P Pd
• Calculated formula: C28 H31 N6 O3 P Pd
• SMILES: [Pd]12([P](CC)(CC)CC)[N](N=C3N2N=C(c2c(cccc2)O)N3/N=C/c2c(cccc2)O)=Cc2c(cccc2)O1
• Title of publication: Oxidant-induced intramolecular triazole formation.
• Authors of publication: Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16066 - 16072
• a: 10.2404 ± 0.0019 Å
• b: 10.596 ± 0.002 Å
• c: 13.021 ± 0.002 Å
• α: 90.997 ± 0.003°
• β: 99.318 ± 0.003°
• γ: 102.809 ± 0.003°
• Cell volume: 1357.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No