Information card for entry 1513688

Structure parameters

• Formula: C236 H314 N4 O22 S8 U4
• Calculated formula: C236 H314 N4 O22 S8 U4
• SMILES: [U]123456([S]7[S]3[U]3789%10([S]1[S]28)Oc1c(C[N]3(Cc2c(O%10)c(cc(c2)C)C23CC7CC(CC(C2)C7)C3)Cc2c(O9)c(cc(c2)C)C23CC7CC(CC(C2)C7)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C)Oc1c(C[N]4(Cc2c(O5)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)Cc2c(O6)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.[U]123456(S[S]1[U]1789([S]3[S]28)Oc2c(C[N]1(Cc1c(O9)c(cc(c1)C)C13CC8CC(CC(C1)C8)C3)Cc1c(O7)c(cc(c1)C)C13CC7CC(CC(C1)C7)C3)cc(cc2C12CC3CC(CC(C1)C3)C2)C)Oc1c(C[N]4(Cc2c(O5)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)Cc2c(O6)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.COCCOC.COCCOC.COCCOC.COCCOC.COCCOC
• Title of publication: Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes
• Authors of publication: Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 942
• a: 20.544 ± 0.0003 Å
• b: 22.5155 ± 0.0003 Å
• c: 24.1171 ± 0.0003 Å
• α: 88.407 ± 0.001°
• β: 84.055 ± 0.001°
• γ: 75.504 ± 0.001°
• Cell volume: 10742.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No