Information card for entry 4516812

Structure parameters

• Formula: C29 H39 F N Ni O P
• Calculated formula: C29 H39 F N Ni O P
• SMILES: [Ni]1([P](c2c(O1)c(C(C)(C)C)ccc2)(C(C)(C)C)C(C)(C)C)([n]1ccccc1)c1ccc(F)cc1
• Title of publication: Nickel-Catalyzed Propylene/Polar Monomer Copolymerization
• Authors of publication: Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko
• Journal of publication: ACS Macro Letters
• Year of publication: 2018
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 213
• a: 11.262 ± 0.005 Å
• b: 16.576 ± 0.007 Å
• c: 15.057 ± 0.006 Å
• α: 90°
• β: 97.245 ± 0.007°
• γ: 90°
• Cell volume: 2788 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No