Information card for entry 4085203

Structure parameters

• Formula: C50.17 H53.01 Cl0.33 N4 Ni
• Calculated formula: C50.675 H53.025 Cl0.325 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: 8.6588 ± 0.0007 Å
• b: 15.3314 ± 0.0014 Å
• c: 16.5973 ± 0.0015 Å
• α: 103.115 ± 0.004°
• β: 98.614 ± 0.004°
• γ: 103.025 ± 0.004°
• Cell volume: 2043.2 ± 0.3 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: 0.0446
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No