Information card for entry 7050843

Structure parameters

• Formula: C91 H134 N2 O24 U2
• Calculated formula: C91 H129 N2 O24 U2
• SMILES: [U]12345(Oc6c7cc(cc6C[O]1Cc1c(O2)c(cc(c1)C(C)(C)C)C[O]3Cc1c(O4)c(cc(c1)C(C)(C)C)C[O]5C7)C(C)(C)C)(=O)=O.[U]12345(Oc6c7cc(cc6C[O]1Cc1c(O2)c(cc(c1)C(C)(C)C)C[O]3Cc1c(O4)c(cc(c1)C(C)(C)C)C[O]5C7)C(C)(C)C)(=O)=O.N12CCOCCOCCN(CCOCCOCC1)CCOCCOCC2.OC.O
• Title of publication: Supramolecular assemblies from uranyl ion complexes of hexahomotrioxacalix[3]arenes and protonated [2.2.2]cryptand
• Authors of publication: Thuery, Pierre; Masci, B.; Nierlich, M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 13.4667 ± 0.0007 Å
• b: 39.338 ± 0.002 Å
• c: 18.4026 ± 0.0014 Å
• α: 90°
• β: 93.062 ± 0.004°
• γ: 90°
• Cell volume: 9734.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No