Information card for entry 4072792

Structure parameters

• Formula: C23 H47 N Ni P2
• Calculated formula: C23 H47 N Ni P2
• SMILES: [Ni]12([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[CH](C)=[C]2(C)C#N
• 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: 11.1322 ± 0.0015 Å
• b: 14.1435 ± 0.0019 Å
• c: 16.532 ± 0.002 Å
• α: 90°
• β: 102.732 ± 0.002°
• γ: 90°
• Cell volume: 2538.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No