Information card for entry 4111456

Structure parameters

• Formula: C30.5 H45.5 N3 O Pd
• Calculated formula: C30.485 H45.48 N3 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: 13.9617 ± 0.0012 Å
• b: 14.0737 ± 0.0011 Å
• c: 17.2592 ± 0.0014 Å
• α: 93.22 ± 0.004°
• β: 110.871 ± 0.003°
• γ: 98.433 ± 0.003°
• Cell volume: 3112.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1446
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No