Information card for entry 1550615

Structure parameters

• Formula: C72 H162 K N O24 Si6 U2
• Calculated formula: C72 H162 K N O24 Si6 U2
• SMILES: [U]([O]([K]1234)[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]2[Si]([O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)=[N]=[U]([O]4[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• 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: 14.21 ± 0.003 Å
• b: 28.1537 ± 0.0019 Å
• c: 27.91 ± 0.003 Å
• α: 90°
• β: 104.632 ± 0.008°
• γ: 90°
• Cell volume: 10804 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1292
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No