Information card for entry 7202425

Structure parameters

• Common name: Bis((N,N-dimethylbenzylamine-kappaN,kappaC)palladium(ii))(mu- acetato-kappaO:kappaO') (mu-benzophenone iminato-kappaN:kappaN) . 1.5toluene
• Chemical name: Bis{(N,N-dimethylbenzylamine-κN,κC)palladium(II)}(μ-acetato-κO:κO') (μ-benzophenone iminato-κN:κN) . 1.5toluene
• Formula: C43.5 H49 N3 O2 Pd2
• Calculated formula: C43.5 H49 N3 O2 Pd2
• Title of publication: Structure‒solid-state CPMAS 13C NMR correlation in palladacycle solvates (pseudo-polymorphs) with a transformation from Z′ = 1 to Z′ = 2
• Authors of publication: Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; Hoffmann, Anke; Chamayou, Anne-Christine; Kazmierczak, Karolina; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1928
• a: 9.5075 ± 0.0005 Å
• b: 11.3472 ± 0.0006 Å
• c: 18.5747 ± 0.001 Å
• α: 82.742 ± 0.001°
• β: 83.107 ± 0.001°
• γ: 75.987 ± 0.001°
• Cell volume: 1920.35 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No