Information card for entry 4133614

Structure parameters

• Formula: C37.5 H57 F4 Ni P
• Calculated formula: C35 H51 F4 Ni P
• SMILES: [Ni]123([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)C(F)(F)C(F)(F)CC(C(=C1[C]2(=[CH2]3)C)CC)c1ccccc1
• Title of publication: Selective Catalytic Formation of Cross-Tetramers from Tetrafluoroethylene, Ethylene, Alkynes, and Aldehydes via Nickelacycles as Key Reaction Intermediates.
• Authors of publication: Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 50
• Pages of publication: 17423 - 17427
• a: 18.7227 ± 0.0002 Å
• b: 16.83446 ± 0.00017 Å
• c: 11.12873 ± 0.00014 Å
• α: 90°
• β: 94.7276 ± 0.0011°
• γ: 90°
• Cell volume: 3495.69 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No