Information card for entry 7222039

Structure parameters

• Formula: C29 H40 Br2 N2 Ni O
• Calculated formula: C29 H40 Br2 N2 Ni O
• SMILES: Br[Ni]1(Br)([OH]C)[n]2cccc3c2C(=[N]1c1c(cccc1C1CCCCC1)C1CCCCC1)CCCC3
• Title of publication: Targeting polyethylene waxes: 9-(2-Cycloalkylphenylimino)-5,6,7,8-tetrahydrocycloheptapyridylnickel halides and their ethylene polymerization
• Authors of publication: Sun, Zelin; Huang, Fang; Qu, Mengnan Z.; Yue, Erlin; Oleynik, Irina; Oleynik, Ivan; Zemg, Yanning; Liang, Tongling; Li, Kanshe; Zhang, Wenjuan; Sun, Wen Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.561 ± 0.002 Å
• b: 10.773 ± 0.002 Å
• c: 14.329 ± 0.003 Å
• α: 79.82 ± 0.03°
• β: 88.35 ± 0.03°
• γ: 63.18 ± 0.03°
• Cell volume: 1429.6 ± 0.6 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 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: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No