Information card for entry 7007184

Structure parameters

• Formula: C100 H122 N2 O8 U
• Calculated formula: C100 H122 N2 O8 U
• SMILES: [U]1234(Oc5c6cc(cc5Cc5c(OC)c(cc(c5)C(C)(C)C)Cc5c(c(cc(c5)C(C)(C)C)Cc5c(OC)c(cc(c5)C(C)(C)C)C6)O2)C(C)(C)C)Oc2c5cc(cc2Cc2c([OH]1)c(cc(c2)C(C)(C)C)Cc1c(O3)c(cc(c1)C(C)(C)C)Cc1c([OH]4)c(cc(c1)C(C)(C)C)C5)C(C)(C)C.n1ccccc1.n1ccccc1
• Title of publication: Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands.
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 3006 - 3014
• a: 28.3992 ± 0.0018 Å
• b: 17.3865 ± 0.0013 Å
• c: 20.7086 ± 0.0008 Å
• α: 90°
• β: 118.75 ± 0.004°
• γ: 90°
• Cell volume: 8964.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No