Information card for entry 7029909

Structure parameters

• Formula: C26 H32 Br2 N8 Ni
• Calculated formula: C26 H32 Br2 N8 Ni
• SMILES: c1c2c3cn(C4CCCCC4)n[n]3[Ni]3(Br)([n]2ccc1)([n]1ccccc1c1cn(C2CCCCC2)n[n]31)Br
• Title of publication: Nickel complexes with "click"-derived pyridyl-triazole ligands: weak intermolecular interactions and catalytic ethylene oligomerisation.
• Authors of publication: Schweinfurth, David; Su, Cheng-Yong; Wei, Shi-Chao; Braunstein, Pierre; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12984 - 12990
• a: 13.0158 ± 0.0002 Å
• b: 9.8575 ± 0.0002 Å
• c: 20.8946 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2680.85 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No