Information card for entry 7105440

Structure parameters

• Formula: C184 H142 N2 O32 U6
• Calculated formula: C184 H142 N2 O32 U6
• SMILES: [U]12345([OH]6[U]789%10([O]%11[U]%12%13%14%15([OH]%16[U]%17%18%19([O]1[U]1%206%11%16([O]=C(c6ccccc6)C=C(O1)c1ccccc1)[O]=C(c1ccccc1)C=C(O%20)c1ccccc1)([O]%13[U]16([O]27)([OH]8%12)([OH]3%17)([O]=C(c2ccccc2)C=C(O1)c1ccccc1)OC(=CC(=[O]6)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O%18)c1ccccc1)[O]=C(c1ccccc1)C=C(O%19)c1ccccc1)([O]=C(c1ccccc1)C=C(O%14)c1ccccc1)OC(=CC(=[O]%15)c1ccccc1)c1ccccc1)(OC(=CC(=[O]9)c1ccccc1)c1ccccc1)OC(=CC(=[O]%10)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O4)c1ccccc1)OC(=CC(=[O]5)c1ccccc1)c1ccccc1.N#CC.N#CC
• Title of publication: Ligand assisted cleavage of uranium oxo-clusters.
• Authors of publication: Nocton, Grégory; Pécaut, Jacques; Filinchuk, Yaroslav; Mazzanti, Marinella
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2757 - 2759
• a: 18.2263 ± 0.0006 Å
• b: 18.995 ± 0.001 Å
• c: 26.5602 ± 0.0007 Å
• α: 75.858 ± 0.003°
• β: 79.099 ± 0.002°
• γ: 64.725 ± 0.004°
• Cell volume: 8025.3 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.69408 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No