Information card for entry 4344664

Structure parameters

• Formula: C29 H32 Br N2 Na O10 U
• Calculated formula: C28.5 H31 Br N2 Na O10 U
• SMILES: C1=[N]2[U]3(=O)([N](=Cc4ccccc4O3)c3c2cc2[O]4CC[O]5CC[O]6CC[O]7CC[O](c2c3)[Na]4567Br)([OH]C)(=O)Oc2c1cccc2
• 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: 8.02121 ± 0.00018 Å
• b: 32.1044 ± 0.0011 Å
• c: 25.8906 ± 0.0006 Å
• α: 90°
• β: 97.497 ± 0.002°
• γ: 90°
• Cell volume: 6610.3 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No