Information card for entry 1564202

Structure parameters

• Formula: C22 H28 N3 Ni O
• Calculated formula: C22 H28 N3 Ni O
• Title of publication: Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction
• Authors of publication: Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.631 ± 0.006 Å
• b: 9.896 ± 0.006 Å
• c: 12.698 ± 0.008 Å
• α: 67.393 ± 0.017°
• β: 84.22 ± 0.02°
• γ: 78.271 ± 0.017°
• Cell volume: 980 ± 1.1 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: 0.2105
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.2828
• Weighted residual factors for all reflections included in the refinement: 0.3484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No