Information card for entry 7112556

Structure parameters

• Formula: C128 H147 N14 O16 U5
• Calculated formula: C128 H147 N14 O16 U5
• SMILES: [U]12345(O[U]6789([O]%10[U]%11%12%13(O1)(O[U]1%14%15%16(O[U]%17%18%19%10(O6)Oc6ccccc6C=[N]%18CC[N]%19=Cc6ccccc6[O]%16%17)Oc6c(cc(cc6CN%14c6ccccc6[N]%15=Cc6cc(cc(c6O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc1ccccc1C=[N]%12CC[N]%13=Cc1ccccc1O%11)Oc1ccccc1C=[N]8CC[N]9=Cc1ccccc1[O]57)Oc1c(cc(cc1C=[N]3c1ccccc1[N]4=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.N#CC.N#CC.N#CC.N#CC
• Title of publication: New polynuclear U(IV)-U(V) complexes from U(IV) mediated uranyl(V) disproportionation.
• Authors of publication: Mougel, Victor; Pécaut, Jacques; Mazzanti, Marinella
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 868 - 870
• a: 16.8481 ± 0.0005 Å
• b: 31.3059 ± 0.0014 Å
• c: 24.9946 ± 0.001 Å
• α: 90°
• β: 104.442 ± 0.003°
• γ: 90°
• Cell volume: 12766.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1425
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.2766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No