Information card for entry 4111458

Structure parameters

• Formula: C42 H69.5 B F3 K N2.5 O7 P Pd
• Calculated formula: C42 H69.5 B F3 K N2.5 O7 P 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: 14.004 ± 0.004 Å
• b: 16.841 ± 0.005 Å
• c: 21.172 ± 0.006 Å
• α: 85.573 ± 0.017°
• β: 80.042 ± 0.016°
• γ: 88.58 ± 0.02°
• Cell volume: 4903 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No