Information card for entry 7044535

Structure parameters

• Formula: C58 H50 Br2 N2 Ni
• Calculated formula: C58 H50 Br2 N2 Ni
• SMILES: [Ni]1(Br)([N](c2c(C(c3ccccc3)c3ccccc3)cc(cc2C(c2ccccc2)c2ccccc2)C)=C2C(=[N]1c1c(cccc1C1CCCCC1)C)c1cccc3c1c2ccc3)Br
• Title of publication: ortho-Cycloalkyl substituted N,N′-diaryliminoacenaphthene-Ni(ii) catalysts for polyethylene elastomers; exploring ring size and temperature effects
• Authors of publication: Suo, Hongyi; Oleynik, Irina V.; Huang, Chuanbing; Oleynik, Ivan I.; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.658 ± 0.002 Å
• b: 18.896 ± 0.004 Å
• c: 25.117 ± 0.005 Å
• α: 90°
• β: 95.19 ± 0.03°
• γ: 90°
• Cell volume: 5037.7 ± 1.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No