Information card for entry 7229354

Structure parameters

• Formula: C38 H30 F6 N2 Ni O2
• Calculated formula: C38 H30 F6 N2 Ni O2
• SMILES: CC1C2=C(O[Ni]3([N]=1c1ccc(C(F)(F)F)cc1)[N](=C(C)C1=C(O3)c3ccccc3CC1)c1ccc(C(F)(F)F)cc1)c1ccccc1CC2
• Title of publication: Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene
• Authors of publication: He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 77
• Pages of publication: 48745
• a: 8.719 ± 0.003 Å
• b: 7.351 ± 0.003 Å
• c: 24.392 ± 0.01 Å
• α: 90°
• β: 94.484 ± 0.01°
• γ: 90°
• Cell volume: 1558.6 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1224
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No