Information card for entry 7023575

Structure parameters

• Common name: [(PdPEt3)H3Br3L]
• Chemical name: (tris(5-Bromo-2-hydroxybenzylidene)triaminoguanidino)- triethylphosphine-palladium(ii)
• Formula: C28 H30 Br3 N6 O3 P Pd
• Calculated formula: C28 H30 Br3 N6 O3 P Pd
• 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: 9.6061 ± 0.0019 Å
• b: 10.857 ± 0.002 Å
• c: 15.489 ± 0.003 Å
• α: 101.61 ± 0.03°
• β: 94.92 ± 0.03°
• γ: 91.08 ± 0.03°
• Cell volume: 1575.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1348
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No