Information card for entry 4100646

Structure parameters

• Formula: C70 H60 Cl K N4 O14 U2
• Calculated formula: C70 H60 Cl K N4 O14 U2
• SMILES: c12c(cccc1)[N]1=Cc3c(c(ccc3)OCc3ccccc3)O[U]31([N]2=Cc1c(c(ccc1)OCc1ccccc1)O3)(=O)(=O)Cl.[K+].c12c(cccc1)[N]1=Cc3c(c(ccc3)OCc3ccccc3)O[U]31([N]2=Cc1c(c(ccc1)OCc1ccccc1)O3)(=O)=O.CO.OC
• Title of publication: Recognition of Alkali Metal Halide Contact Ion Pairs by Uranyl‒Salophen Receptors Bearing Aromatic Sidearms. The Role of Cation‒π Interactions
• Authors of publication: Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 11
• Pages of publication: 3831 - 3837
• a: 14.3905 ± 0.0002 Å
• b: 15.2086 ± 0.0003 Å
• c: 15.5041 ± 0.0003 Å
• α: 93.2582 ± 0.0007°
• β: 107.142 ± 0.0007°
• γ: 100.843 ± 0.001°
• Cell volume: 3161.7 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No