Information card for entry 7104822

Structure parameters

• Formula: C50 H62 Cl N3 O6 U
• Calculated formula: C50 H62 Cl N3 O6 U
• SMILES: C1c2c(c(ccc2)OCc2ccccc2)O[U]23([N]=1c1c(cccc1)[N]2=Cc1c(c(ccc1)OCc1ccccc1)O3)(=O)(=O)Cl.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Uranyl-salophen based ditopic receptors for the recognition of quaternary ammonium halides
• Authors of publication: Cametti, Massimo; Nissinen, Maija; Dalla Cort, Antonella; Mandolini, Luigi; Rissanen, Kari
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 2420 - 2421
• a: 13.3226 ± 0.0001 Å
• b: 18.2936 ± 0.0001 Å
• c: 20.3692 ± 0.0002 Å
• α: 94.6846 ± 0.0003°
• β: 104.463 ± 0.0003°
• γ: 91.9727 ± 0.0003°
• Cell volume: 4783.22 ± 0.06 ų
• Cell temperature: 173 ± 0.2 K
• Ambient diffraction temperature: 173 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7113830
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No