Information card for entry 4068298

Structure parameters

• Formula: C22 H26 Br4 N6 Ni2
• Calculated formula: C22 H26 Br4 N6 Ni2
• SMILES: Cc1cc(C)n2Cc3cccc[n]3[Ni]3([n]12)([Br][Ni]1([n]2c(C)cc(C)n2Cc2cccc[n]12)(Br)[Br]3)Br
• Title of publication: (Pyrazol-1-ylmethyl)pyridine Nickel Complexes: Ethylene Oligomerization and Unusual Friedel−Crafts Alkylation Catalysts
• Authors of publication: Ojwach, Stephen O.; Guzei, Ilia A.; Benade, Letitia L.; Mapolie, Selwyn F.; Darkwa, James
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2127
• a: 7.4989 ± 0.0006 Å
• b: 8.6632 ± 0.0007 Å
• c: 10.9434 ± 0.0009 Å
• α: 71.875 ± 0.001°
• β: 72.833 ± 0.001°
• γ: 83.938 ± 0.001°
• Cell volume: 645.48 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No