Information card for entry 4123619

Structure parameters

• Formula: C66 H80 F16 N4 Ni2
• Calculated formula: C66 H80 F16 N4 Ni2
• Title of publication: Nickel-Catalyzed Formation of Fluorine-Containing Ketones via the Selective Cross-Trimerization Reaction of Tetrafluoroethylene, Ethylene, and Aldehydes.
• Authors of publication: Ohashi, Masato; Shirataki, Hiroshi; Kikushima, Kotaro; Ogoshi, Sensuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6496 - 6499
• a: 10.301 ± 0.0005 Å
• b: 19.2677 ± 0.0008 Å
• c: 16.8297 ± 0.0007 Å
• α: 90°
• β: 100.001 ± 0.002°
• γ: 90°
• Cell volume: 3289.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No