Information card for entry 4085202

Structure parameters

• Formula: C45 H45 Cl3 N4 Ni
• Calculated formula: C45 H45 Cl3 N4 Ni
• Title of publication: Nickel(II) Pincer Carbene Complexes: Oxidative Addition of an Aryl C‒H Bond to Form a Ni(II) Hydride
• Authors of publication: Matson, Ellen M.; Espinosa Martinez, Gabriel; Ibrahim, Abdulrahman D.; Jackson, Bailey J.; Bertke, Jeffrey A.; Fout, Alison R.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 399
• a: 19.2462 ± 0.0017 Å
• b: 8.9294 ± 0.0008 Å
• c: 23.63 ± 0.002 Å
• α: 90°
• β: 96.786 ± 0.005°
• γ: 90°
• Cell volume: 4032.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No