Information card for entry 4112961

Structure parameters

• Formula: C32 H52 F3 Ni O4 P S Si
• Calculated formula: C32 H52 F3 Ni O4 P S Si
• SMILES: [Ni]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([O]([Si](C)(C)C)[C@@H]2[C@H](C1)Cc1ccccc21)OS(=O)(=O)C(F)(F)F.[Ni]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)([O]([Si](C)(C)C)[C@H]2[C@@H](C1)Cc1ccccc21)OS(=O)(=O)C(F)(F)F
• Title of publication: Direct Observation of Oxidative Cyclization of η2-Alkene and η2-Aldehyde on Ni(0) Center. Significant Acceleration by Addition of Me3SiOTf
• Authors of publication: Sensuke Ogoshi; Masa-aki Oka; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 11802 - 11803
• a: 11.2785 ± 0.0004 Å
• b: 23.2551 ± 0.0009 Å
• c: 14.0961 ± 0.0005 Å
• α: 90°
• β: 100.417 ± 0.0009°
• γ: 90°
• Cell volume: 3636.2 ± 0.2 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 3.898
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No