Information card for entry 4107938

Structure parameters

• Common name: jonbds05
• Chemical name: 10, [Ni(dippe)(2-cyanobutenyl)]+ BPh4-
• Formula: C43 H58 B N Ni P2
• Calculated formula: C43 H58 B N Ni P2
• Title of publication: Solvent Effects and Activation Parameters in the Competitive Cleavage of C-CN and C-H Bonds in 2-Methyl-3-Butenenitrile Using [(dippe)NiH]2
• Authors of publication: Brett D. Swartz; Nicole M. Reinartz; William W. Brennessel; Juventino J. García; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8548 - 8554
• a: 17.418 ± 0.004 Å
• b: 62.197 ± 0.014 Å
• c: 14.634 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15854 ± 6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No