Information card for entry 7001341

Structure parameters

• Formula: C48 H60 Cl4 N12 Ni2 O4
• Calculated formula: C48 H60 Cl4 N12 Ni2 O4
• SMILES: c12c3cccc1ccc1[n]2[Ni]2([NH]3C)([n]3c1n(c1ccccc31)C)(Cl)[Cl][Ni]13([n]4c5c(cccc5ccc4c4[n]3c3c(n4C)cccc3)[NH]1C)([Cl]2)Cl.O=CN(C)C.O=CN(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Synthesis, characterization and ethylene oligomerization of nickel complexes bearing N-(2-(1H-benzo[d]imidazol-2-yl)quinolin-8-yl)benzamide derivatives
• Authors of publication: Wang, Kefeng; Shen, Miao; Sun, Wen-Hua
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4085 - 4095
• a: 10.186 ± 0.007 Å
• b: 11.301 ± 0.01 Å
• c: 13.024 ± 0.01 Å
• α: 97.4 ± 0.08°
• β: 101.03 ± 0.06°
• γ: 116.31 ± 0.04°
• Cell volume: 1279.6 ± 1.9 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 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 all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.3251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No