Information card for entry 1564204

Structure parameters

• Formula: C11 H16 B N2 Ni O4
• Calculated formula: C11 H16 B N2 Ni O4
• 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: 10.2092 ± 0.0005 Å
• b: 11.9426 ± 0.0006 Å
• c: 11.9808 ± 0.0005 Å
• α: 90°
• β: 91.56 ± 0.002°
• γ: 90°
• Cell volume: 1460.21 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0596
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No