Information card for entry 7229355

Structure parameters

• Formula: C38 H36 N2 Ni O4
• Calculated formula: C38 H36 N2 Ni O4
• SMILES: c1(ccc(cc1)[N]1[Ni]2(OC3=C(C=1C)CCc1c3cccc1)[N](=C(C)C1=C(O2)c2c(CC1)cccc2)c1ccc(cc1)OC)OC
• 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: 14.6652 ± 0.0013 Å
• b: 14.852 ± 0.0013 Å
• c: 7.0027 ± 0.0006 Å
• α: 90°
• β: 94.988 ± 0.002°
• γ: 90°
• Cell volume: 1519.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No