Information card for entry 4109221

Structure parameters

• Common name: Compound X
• Formula: C42 H37 Br N4 O6 U
• Calculated formula: C42 H37 Br N4 O6 U
• SMILES: c12c(cccc1)[N]1=Cc3c(c(ccc3)OCc3ccccc3)O[U]31([N]2=Cc1c(c(ccc1)OCc1ccccc1)O3)(=O)(=O)Br.c1cccc[n+]1C.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: 35.56 ± 0.001 Å
• b: 9.6555 ± 0.0003 Å
• c: 24.1012 ± 0.0008 Å
• α: 90°
• β: 112.397 ± 0.002°
• γ: 90°
• Cell volume: 7650.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No