Information card for entry 4078795

Structure parameters

• Formula: C11 H27 N3 Pd
• Calculated formula: C11.001 H27.003 N3.001 Pd
• Title of publication: Formation of the Palladium(IV) Complex [(Me3tacn)PdIVMe3]+through Aerobic Oxidation of (Me3tacn)PdIIMe2(Me3tacn =N,N′,N″-Trimethyl-1,4,7-triazacyclononane)
• Authors of publication: Khusnutdinova, Julia R.; Qu, Fengrui; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4627
• a: 6.841 ± 0.0003 Å
• b: 16.0925 ± 0.0007 Å
• c: 12.902 ± 0.0005 Å
• α: 90°
• β: 103.221 ± 0.002°
• γ: 90°
• Cell volume: 1382.72 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No