Information card for entry 7007180

Structure parameters

• Formula: C62 H90 Cl2 O8 U
• Calculated formula: C62 H90 Cl2 O8 U
• SMILES: [U]123(Cl)(Cl)(Oc4c5cc(cc4Cc4c([O]1C)c(cc(c4)C(C)(C)C)Cc1c(O2)c(cc(c1)C(C)(C)C)Cc1c([O]3C)c(cc(c1)C(C)(C)C)C5)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1
• 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: 13.9717 ± 0.0005 Å
• b: 14.9505 ± 0.0006 Å
• c: 15.6364 ± 0.0006 Å
• α: 98.682 ± 0.002°
• β: 101.23 ± 0.002°
• γ: 104.513 ± 0.001°
• Cell volume: 3032 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No