Information card for entry 4516809

Structure parameters

• Formula: C31 H30 F6 N Ni O P
• Calculated formula: C31 H30 F6 N Ni O P
• SMILES: [Ni]1([P](c2c(O1)c(ccc2)c1c(F)c(F)c(F)c(F)c1F)(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: 10.985 ± 0.003 Å
• b: 22.319 ± 0.006 Å
• c: 12.259 ± 0.004 Å
• α: 90°
• β: 107.833 ± 0.005°
• γ: 90°
• Cell volume: 2861.2 ± 1.4 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: 0.0417
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No