Information card for entry 4069754

Structure parameters

• Formula: C22 H40 Ni P2
• Calculated formula: C22 H40 Ni P2
• SMILES: [Ni]12([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[CH2]=[CH]2c1ccccc1
• Title of publication: Decomposition of Methylnickel(II) Amido, Alkoxo, and Alkyl Complexes by β-Hydrogen Elimination: A Comparative Study†
• Authors of publication: Matas, Inmaculada; Cámpora, Juan; Palma, Pilar; Álvarez, Eleuterio
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6515
• a: 8.6934 ± 0.0006 Å
• b: 9.9152 ± 0.0007 Å
• c: 14.3854 ± 0.0009 Å
• α: 84.411 ± 0.002°
• β: 84.62 ± 0.002°
• γ: 68.354 ± 0.002°
• Cell volume: 1144.81 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No