Information card for entry 4344663

Structure parameters

• Formula: C35 H52 F N2 Na O15.5 U
• Calculated formula: C35 H52 F N2 Na O15.5 U
• SMILES: [U]123(F)(=O)(=O)Oc4c(C=[N]2c2c([N]3=Cc3ccccc3O1)cc1[O]3[Na]5678([O](c1c2)CC[O]5CC[O]6CC[O]7CC[O]8CC3)([OH]C)[OH]C)cccc4.OC.O.OC.OC
• 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: 21.3355 ± 0.0002 Å
• b: 24.9757 ± 0.0003 Å
• c: 31.4697 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16769.2 ± 0.3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No