Information card for entry 4072793

Structure parameters

• Common name: Ni(dtbpe)(2-pentenenitrile)
• Formula: C23 H46 N Ni P2
• Calculated formula: C23 H40 N Ni P2
• Title of publication: Nickel Complexes Involved in the Isomerization of 2-Methyl-3-butenenitrile
• Authors of publication: Acosta-Ramírez, Alberto; Flores-Gaspar, Areli; Muñoz-Hernández, Miguel; Arévalo, Alma; Jones, William D.; García, Juventino J.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1712
• a: 18.886 ± 0.004 Å
• b: 10.536 ± 0.002 Å
• c: 12.667 ± 0.003 Å
• α: 90°
• β: 91.843 ± 0.004°
• γ: 90°
• Cell volume: 2519.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No