Information card for entry 1513613

Structure parameters

• Formula: C60 H90 N12 S2 Si6 U2
• Calculated formula: C60 H90 N12 S2 Si6 U2
• SMILES: [U]123456([S]7[U]89%10%11%12([S]17)[N]1([Si](N%10c7ccccc7)(C)C)CC[N]8([Si](N%11c7ccccc7)(C)C)CC[N]9([Si](N%12c7ccccc7)(C)C)CC1)[N]1([Si](N4c4ccccc4)(C)C)CC[N]2([Si](N5c2ccccc2)(C)C)CC[N]3([Si](N6c2ccccc2)(C)C)CC1
• 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: 14.1895 ± 0.0009 Å
• b: 12.4113 ± 0.0005 Å
• c: 20.2745 ± 0.001 Å
• α: 90°
• β: 108.259 ± 0.006°
• γ: 90°
• Cell volume: 3390.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.101
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No