Information card for entry 4344668

Structure parameters

• Formula: C30 H38 N2 O13 U
• Calculated formula: C30 H38 N2 O13 U
• SMILES: [U]123(=O)(=O)(Oc4c(C=[N]2c2c([N]3=Cc3ccccc3O1)cc1OCCOCCOCCOCCOCCOc1c2)cccc4)[OH2].O.O
• Title of publication: Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.
• Authors of publication: Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1339 - 1346
• a: 24.2244 ± 0.001 Å
• b: 17.157 ± 0.0011 Å
• c: 8.0439 ± 0.0005 Å
• α: 90°
• β: 108.615 ± 0.004°
• γ: 90°
• Cell volume: 3168.3 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No