Information card for entry 1564207

Structure parameters

• Formula: C22 H28 N4 Ni O4
• Calculated formula: C22 H28 N4 Ni O4
• SMILES: [Ni]123([O]=NO1)([O]=NO2)[N](c1c(C)cc(cc1C)C)=C(C(=[N]3c1c(cc(cc1C)C)C)C)C
• 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: 13.866 ± 0.003 Å
• b: 14.341 ± 0.003 Å
• c: 23.383 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4649.8 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No