Information card for entry 1564201

Structure parameters

• Formula: C45.25 H58.5 Cl2.5 N8 Ni2 O12
• Calculated formula: C45.25 H58.5 Cl2.5 N8 Ni2 O12
• 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: 14.981 ± 0.002 Å
• b: 13.932 ± 0.002 Å
• c: 25.176 ± 0.003 Å
• α: 90°
• β: 97.521 ± 0.004°
• γ: 90°
• Cell volume: 5209.4 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No