Information card for entry 4109220

Structure parameters

• Formula: C46 H36 N4 O6 U
• Calculated formula: C46 H36 N4 O6 U
• SMILES: [U]123(=O)(=O)([N](c4c([N]1=Cc1c(O2)c(OCc2ccc5c(cccc5)c2)ccc1)cccc4)=Cc1cccc(OCc2ccc4c(c2)cccc4)c1O3)[N]#CC.N#CC
• Title of publication: Ion Pair Recognition of Quaternary Ammonium and Iminium Salts by Uranyl-Salophen Compounds in Solution and in the Solid State
• Authors of publication: Massimo Cametti; Maija Nissinen; Antonella Dalla Cort; Luigi Mandolini; Kari Rissanen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3641 - 3648
• a: 11.8206 ± 0.0002 Å
• b: 12.8609 ± 0.0003 Å
• c: 14.8464 ± 0.0004 Å
• α: 73.701 ± 0.001°
• β: 88.331 ± 0.001°
• γ: 64.804 ± 0.001°
• Cell volume: 1949.55 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No