Information card for entry 7028172

Structure parameters

• Formula: C63 H86 N6 O10 U
• Calculated formula: C63 H86 N6 O10 U
• Title of publication: A neutral uranyl dimeric complex and remarkable extraction properties of a 1-acid 3-diethyl amide substituted calix[4]arene ligand
• Authors of publication: Beer, Paul D.; Drew, Michael G. B.; Hesek, Dusan; Kan, Mark; Nicholson, Graeme; Schmitt, Philippe; Sheen, Paul D.; Williams, Gareth
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 17
• Pages of publication: 2783
• a: 12.35 ± 0.009 Å
• b: 12.765 ± 0.012 Å
• c: 23.67 ± 0.03 Å
• α: 94.643 ± 0.01°
• β: 97.523 ± 0.01°
• γ: 110.143 ± 0.01°
• Cell volume: 3441 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No