Information card for entry 1556374

Structure parameters

• Formula: C18 H22 Cl2 N4 Ni
• Calculated formula: C18 H22 Cl2 N4 Ni
• SMILES: Cc1cc(C)[n]2n1Cc1ccccc1Cn1c(C)cc(C)[n]1[Ni]2(Cl)Cl
• Title of publication: Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride
• Authors of publication: Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 3130
• a: 9.2765 ± 0.0005 Å
• b: 10.7428 ± 0.0005 Å
• c: 12.1287 ± 0.0006 Å
• α: 110.976 ± 0.003°
• β: 96.346 ± 0.003°
• γ: 113.712 ± 0.003°
• Cell volume: 986.47 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No