Information card for entry 7229356

Structure parameters

• Formula: C36 H30 F2 N2 Ni O2
• Calculated formula: C36 H30 F2 N2 Ni O2
• SMILES: c1(ccc(cc1)[N]1[Ni]2([N](=C(C)C3=C(O2)c2c(CC3)cccc2)c2ccc(cc2)F)OC2=C(C=1C)CCc1ccccc21)F
• 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: 8.916 ± 0.003 Å
• b: 7.111 ± 0.003 Å
• c: 21.905 ± 0.008 Å
• α: 90°
• β: 93.538 ± 0.009°
• γ: 90°
• Cell volume: 1386.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0585
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No