Information card for entry 1550620

Structure parameters

• Formula: C72 H162 K2 N4 O24 Si6 U2
• Calculated formula: C72 H162 K2 N4 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: 14.382 ± 0.002 Å
• b: 17.661 ± 0.003 Å
• c: 21.819 ± 0.004 Å
• α: 90°
• β: 92.012 ± 0.009°
• γ: 90°
• Cell volume: 5538.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.117
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No