Information card for entry 7024500

Structure parameters

• Formula: C14 H26 Br2 N6 Ni
• Calculated formula: C21 H39 Br3 N9 Ni1.5
• 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: 11.1745 ± 0.0004 Å
• b: 11.4189 ± 0.0004 Å
• c: 13.8592 ± 0.0005 Å
• α: 102.131 ± 0.003°
• β: 109.498 ± 0.003°
• γ: 105.581 ± 0.003°
• Cell volume: 1515.72 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No