Information card for entry 7202426

Structure parameters

• Common name: [{(dmba)Pd}2(m-OAc)(m-N=CPh2)].1(n-hexane)
• Chemical name: [μ-Acetato-μ-benzophenone iminato- bis{N,N-dimethylbenzylamine-κN,κC-palladium(II)}] 1(n-hexane)
• Formula: C39 H51 N3 O2 Pd2
• Calculated formula: C39 H51 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: 14.2859 ± 0.0006 Å
• b: 28.3485 ± 0.0012 Å
• c: 9.2862 ± 0.0004 Å
• α: 90°
• β: 103.894 ± 0.001°
• γ: 90°
• Cell volume: 3650.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No