Information card for entry 4348334

Structure parameters

• Formula: C27 H36 Br2 N2 Ni O
• Calculated formula: C27 H36 Br2 N2 Ni O
• SMILES: Br[Ni]1([n]2c3C(=[N]1c1c(C4CCCCC4)cccc1C1CCCCC1)CCCc3ccc2)(Br)[OH2]
• Title of publication: 8-(2-Cycloalkylphenylimino)-5,6,7-trihydro-quinolylnickel halides: polymerizing ethylene to highly branched and lower molecular weight polyethylenes
• Authors of publication: Sun, Zelin; Yue, Erlin; Qu, Mengnan; Oleynik, Irina V.; Oleynik, Ivan I.; Li, Kanshe; Liang, Tongling; Zhang, Wenjuan; Sun, Wen-Hua
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 223
• a: 10.197 ± 0.002 Å
• b: 10.504 ± 0.002 Å
• c: 14.735 ± 0.003 Å
• α: 89.36 ± 0.03°
• β: 79.33 ± 0.03°
• γ: 64.21 ± 0.03°
• Cell volume: 1392.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No