Information card for entry 4087522

Structure parameters

• Formula: C30 H43 F4 Ni O P
• Calculated formula: C30 H43 F4 Ni O P
• SMILES: [Ni]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[O]=C3(C2C(C(F)(F)C1(F)F)C)c1ccccc1
• Title of publication: 2,2,3,3-Tetrafluoronickelacyclopentanes Generated via the Oxidative Cyclization of Tetrafluoroethylene and Simple Alkenes: A Key Intermediate in Nickel-Catalyzed C‒C Bond-Forming Reactions
• Authors of publication: Ohashi, Masato; Kawashima, Takuya; Taniguchi, Tomoaki; Kikushima, Kotaro; Ogoshi, Sensuke
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1604
• a: 16.074 ± 0.005 Å
• b: 10.365 ± 0.003 Å
• c: 17.929 ± 0.004 Å
• α: 90°
• β: 104.843 ± 0.009°
• γ: 90°
• Cell volume: 2887.4 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No