Information card for entry 1513614

Structure parameters

• Formula: C30 H45 N6 Na O Si3 U
• Calculated formula: C30 H45 N6 Na O Si3 U
• SMILES: [U]12345([N]6(CC[N]1(CCN2CC6)[Si](N4c1ccccc1)(C)C)[Si](N3c1ccccc1)(C)C)O[Si](N5c1ccccc1)(C)C.[Na+]
• Title of publication: Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex
• Authors of publication: Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 841
• a: 10.5247 ± 0.0003 Å
• b: 18.506 ± 0.0005 Å
• c: 17.3041 ± 0.0006 Å
• α: 90°
• β: 91.612 ± 0.003°
• γ: 90°
• Cell volume: 3368.99 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0959
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No