Information card for entry 7024502

Structure parameters

• Formula: C16 H26 Br2 N6 Ni
• Calculated formula: C16 H26 Br2 N6 Ni
• Title of publication: A comparison between nickel and palladium precatalysts of 1,2,4-triazole based N-heterocyclic carbenes in hydroamination of activated olefins.
• Authors of publication: Dash, Chandrakanta; Shaikh, Mobin M.; Butcher, Ray J.; Ghosh, Prasenjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2515 - 2524
• a: 11.5509 ± 0.0013 Å
• b: 16.5181 ± 0.0016 Å
• c: 22.475 ± 0.002 Å
• α: 90°
• β: 104.068 ± 0.011°
• γ: 90°
• Cell volume: 4159.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1322
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No