Information card for entry 4069752

Structure parameters

• Formula: C21 H38 Ni O P2
• Calculated formula: C21 H38 Ni O P2
• SMILES: [Ni]12([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[O]=[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: 15.5249 ± 0.0003 Å
• b: 15.0436 ± 0.0004 Å
• c: 20.5056 ± 0.0005 Å
• α: 90°
• β: 108.956 ± 0.001°
• γ: 90°
• Cell volume: 4529.37 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No