Information card for entry 4304077

Structure parameters

• Formula: C12 H18 Cl4 N6 O12 U4
• Calculated formula: C12 H18 Cl4 N6 O12 U4
• SMILES: [U]123([Cl][U]4([Cl][U]5([Cl][U]([Cl]1)(=O)(=O)([O]35)([OH2])[N]#CC)(=O)(=O)([O]24)[N]#CC)(=O)(=O)([OH2])[N]#CC)(=O)(=O)[N]#CC.N#CC.N#CC
• Title of publication: Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile
• Authors of publication: Christoph Hennig; Kelly Servaes; Peter Nockemann; Kristof Van Hecke; Luc Van Meervelt; Johan Wouters; Linda Fluyt; Christiane Görller-Walrand; Rik Van Deun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2987 - 2993
• a: 10.6388 ± 0.0005 Å
• b: 14.8441 ± 0.0005 Å
• c: 10.8521 ± 0.0005 Å
• α: 90°
• β: 109.164 ± 0.005°
• γ: 90°
• Cell volume: 1618.83 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No