Information card for entry 4111457

Structure parameters

• Formula: C26.22 H36.44 Cl0.44 N2 O Pd
• Calculated formula: C26.22 H36 Cl0.44 N2 O Pd
• Title of publication: Insertion of Acrylonitrile into Palladium Methyl Bonds in Neutral and Anionic Pd(II) Complexes
• Authors of publication: Laurent F. Groux; Thomas Weiss; Dastigiri N. Reddy; Preston A. Chase; Warren E. Piers; Tom Ziegler; Masood Parvez; Jordi Benet-Buchholz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1854 - 1869
• a: 23.574 ± 0.002 Å
• b: 14.38 ± 0.003 Å
• c: 31.49 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10675 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No