Information card for entry 7012427

Structure parameters

• Common name: (4,13-diaza-18-crown-6 + 2H+)Ì((H2O)2(M(H2O)x3+)2(p- sulfonatocalix(4)arene)2 (M3+ = Ce, Nd, Eu, Gd, x = 8, 9)
• Formula: C34 H74 N Nd O37 S4
• Calculated formula: C34 H32 N Nd O36.5 S4
• Title of publication: Rapid capture of 4,13-diaza-18-crown-6 molecules by p-sulfonatocalix[4]arene in the presence of trivalent lanthanide ions
• Authors of publication: Dalgarno, Scott J.; Raston, Colin L.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 287
• a: 17.345 ± 0.004 Å
• b: 18.729 ± 0.004 Å
• c: 19.462 ± 0.004 Å
• α: 90°
• β: 112.31 ± 0.03°
• γ: 90°
• Cell volume: 5849 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2659
• Weighted residual factors for all reflections included in the refinement: 0.2909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No