Information card for entry 1550619

Structure parameters

• Formula: C79 H172 K2 N2 O24 Si6 U2
• Calculated formula: C79 H172 K2 N2 O24 Si6 U2
• Title of publication: Facile N-functionalization and strong magnetic communication in a diuranium(v) bis-nitride complex
• Authors of publication: Barluzzi, Luciano; Chatelain, Lucile; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.4207 ± 0.0004 Å
• b: 17.5321 ± 0.0005 Å
• c: 21.9098 ± 0.0006 Å
• α: 90°
• β: 91.84 ± 0.003°
• γ: 90°
• Cell volume: 5536.5 ± 0.3 ų
• Cell temperature: 140.01 ± 0.1 K
• Ambient diffraction temperature: 140.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No