Information card for entry 7023576

Structure parameters

• Common name: [(PdPEt3)H3L]
• Chemical name: tris(2-hydroxy-benzylidene)triaminoguanidino-triethylphosphine-palladium(ii)'
• Formula: C32 H43 N6 O4 P Pd
• Calculated formula: C32 H43 N6 O4 P Pd
• SMILES: [Pd]12(Oc3c(C=[N]2N=C(N1/N=C/c1c(cccc1)O)N/N=C/c1c(cccc1)O)cccc3)[P](CC)(CC)CC.O(CC)CC
• 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: 25.531 ± 0.006 Å
• b: 17.175 ± 0.004 Å
• c: 18.17 ± 0.004 Å
• α: 90°
• β: 123.949 ± 0.003°
• γ: 90°
• Cell volume: 6609 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No