Information card for entry 2201366

Structure parameters

• Formula: C82 H86 Cl6 O20 U2
• Calculated formula: C82 H86 Cl6 O20 U2
• SMILES: c1ccccc1C1=CC(=[O][U]2(O1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(=O)(=O)[OH2])c1ccccc1.O1[C@@H]2[C@@H](CCCC2)OCCOCCO[C@H]2[C@H](CCCC2)OCCOCC1.C(Cl)(Cl)Cl.c1ccccc1C1=CC(=[O][U]2(O1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)(=O)(=O)[OH2])c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Bis[aquabis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O,O</i>')dioxouranium(VI)] dicyclohexyl-18-crown-6-ether chloroform disolvate
• Authors of publication: Hoong-Kun Fun; S. Kannan; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m463 - m465
• a: 15.5427 ± 0.0001 Å
• b: 15.2483 ± 0.0001 Å
• c: 19.4582 ± 0.0002 Å
• α: 90°
• β: 107.643 ± 0.001°
• γ: 90°
• Cell volume: 4394.68 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes