Information card for entry 7116964

Structure parameters

• Formula: C72 H80 Cl2 N4 Ni2
• Calculated formula: C72 H80 Cl2 N4 Ni2
• SMILES: C12C(=[N](c3c(cccc3C(C)C)C(C)C)[Ni]3([N]=2c2c(cccc2C(C)C)C(C)C)[Cl][Ni]2([N](=C4C(=[N]2c2c(cccc2C(C)C)C(C)C)c2c5c4cccc5ccc2)c2c(cccc2C(C)C)C(C)C)[Cl]3)c2c3c1cccc3ccc2
• Title of publication: The ligand redox behavior and role in 1,2-bis[(2,6-diisopropylphenyl)imino]-acenaphthene nickel-TMA(MAO) systems for ethylene polymerization
• Authors of publication: Wei Gao; Lan Xin; Zhiqiang Hao; Guodong Li; Ji-Hu Su; Lijing Zhou; Ying Mu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7004
• a: 16.1963 ± 0.0011 Å
• b: 12.2535 ± 0.0008 Å
• c: 16.3252 ± 0.0011 Å
• α: 90°
• β: 94.689 ± 0.001°
• γ: 90°
• Cell volume: 3229.1 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 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: 0.0655
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No