Information card for entry 4127200

Structure parameters

• Formula: C66 H84 N6 Ni2
• Calculated formula: C66 H84 N6 Ni2
• Title of publication: Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.
• Authors of publication: Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 12.022 ± 0.0005 Å
• b: 26.4576 ± 0.0008 Å
• c: 18.26 ± 0.0006 Å
• α: 90°
• β: 97.465 ± 0.003°
• γ: 90°
• Cell volume: 5758.8 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No