Information card for entry 7007407

Structure parameters

• Formula: C43 H38 Cl3 N3 O4 U
• Calculated formula: C43 H38 Cl3 N3 O4 U
• SMILES: [U]123(Cl)(Cl)(Cl)[OH]c4c5Cc6c(O2)c(Cc2c(O1)c(Cc1c(O3)c(ccc1)Cc4ccc5)ccc2)ccc6.[nH+]1ccccc1.n1ccccc1.[nH+]1ccccc1
• 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: 11.8531 ± 0.0002 Å
• b: 18.9402 ± 0.0004 Å
• c: 17.8786 ± 0.0005 Å
• α: 90°
• β: 101.044 ± 0.001°
• γ: 90°
• Cell volume: 3939.41 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No