Information card for entry 1513610

Structure parameters

• Formula: C67 H98 N12 S Si6 U2
• Calculated formula: C67 H98 N12 S Si6 U2
• SMILES: [U]12345(S[U]6789%10[N]%11([Si](N8c8ccccc8)(C)C)CC[N]6([Si](N9c6ccccc6)(C)C)CC[N]7([Si](N%10c6ccccc6)(C)C)CC%11)[N]6([Si](N3c3ccccc3)(C)C)CC[N]1([Si](N4c1ccccc1)(C)C)CC[N]2([Si](N5c1ccccc1)(C)C)CC6.c1(ccccc1)C
• 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: 18.1014 ± 0.0009 Å
• b: 17.6622 ± 0.0009 Å
• c: 22.4297 ± 0.0013 Å
• α: 90°
• β: 91.229 ± 0.006°
• γ: 90°
• Cell volume: 7169.4 ± 0.7 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: 0.1668
• Residual factor for significantly intense reflections: 0.1092
• Weighted residual factors for significantly intense reflections: 0.2646
• Weighted residual factors for all reflections included in the refinement: 0.3128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No