Information card for entry 4069095

Structure parameters

• Formula: C24 H51 F6 Ni O P3
• Calculated formula: C24 H51 F6 Ni O P3
• SMILES: [Ni]12([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C(C)(C)C)[O]=C2CC(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Sequential Insertion Reactions of Carbon Monoxide and Ethylene into the Ni−C Bond of a Cationic Nickel(II) Alkyl Complex
• Authors of publication: Curley, John J.; Kitiachvili, Kristina D.; Waterman, Rory; Hillhouse, Gregory L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2568
• a: 15.389 ± 0.003 Å
• b: 12.589 ± 0.002 Å
• c: 31.151 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6034.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No