Information card for entry 7007181

Structure parameters

• Formula: C66 H78 Cl2 N4 O4 U
• Calculated formula: C67 H73 Cl2 N3 O4 U
• 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: 13.9922 ± 0.0003 Å
• b: 14.1147 ± 0.0003 Å
• c: 18.5727 ± 0.0004 Å
• α: 98.4167 ± 0.0007°
• β: 98.0981 ± 0.0007°
• γ: 119.189 ± 0.0008°
• Cell volume: 3070.59 ± 0.12 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: 0.0476
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No