Information card for entry 7113829

Structure parameters

• Formula: C38 H38 Cl N3 O6 U
• Calculated formula: C38 H38 Cl N3 O6 U
• SMILES: c1(ccccc1)COc1c2c(ccc1)C=[N]1c3c(cccc3)[N]3=Cc4c(c(ccc4)OCc4ccccc4)O[U]13(=O)(=O)(O2)Cl.C[N+](C)(C)C
• Title of publication: Uranyl-salophen based ditopic receptors for the recognition of quaternary ammonium halides
• Authors of publication: Cametti, Massimo; Nissinen, Maija; Cort, Antonella Dalla; Mandolini, Luigi; Rissanen, Kari
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2420
• a: 19.293 ± 0.003 Å
• b: 19.293 ± 0.003 Å
• c: 19.421 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7229 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No