Information card for entry 4085204

Structure parameters

• Formula: C52 H66 N4 Ni O Si
• Calculated formula: C48 H56 N4 Ni Si
• 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: 15.159 ± 0.0017 Å
• b: 18.643 ± 0.002 Å
• c: 18.882 ± 0.002 Å
• α: 106.393 ± 0.006°
• β: 110.407 ± 0.006°
• γ: 93.967 ± 0.007°
• Cell volume: 4713.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No