Information card for entry 7007412

Structure parameters

• Formula: C106 H104 N4 Na4 O20 U2
• Calculated formula: C106 H99 N4 Na4 O20 U2
• SMILES: [U]1234(Oc5c6cccc5Cc5c(O1)c(ccc5)Cc1c(O2)c(ccc1)Cc1c(O)c(ccc1)Cc1c2O[U]578(Oc9c(Cc2ccc1)cccc9Cc1c(O5)c(ccc1)Cc1c(O)c(ccc1)C6)([O]=C(C)C=C(O7)C)(OC(=CC(=[O]8)C)C)OC(=CC(=O)C)C)(OC(=CC(=[O]3)C)C)(OC(=CC(=[O]4)C)C)OC(=CC(=O)C)C.[Na+].[Na+].[Na+].[Na+].n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Synthesis and crystal structure of uranium(IV) complexes with calix[n]arenes (n = 4, 6 and 8): mononuclear, polynuclear and 1D polymeric species.
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 30
• Pages of publication: 3629 - 3637
• a: 12.4838 ± 0.0004 Å
• b: 12.7588 ± 0.0005 Å
• c: 33.6497 ± 0.0014 Å
• α: 81.021 ± 0.004°
• β: 79.732 ± 0.004°
• γ: 70.613 ± 0.002°
• Cell volume: 4947.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No