Information card for entry 7007188

Structure parameters

• Formula: C98 H120.5 N1.5 O8 U
• Calculated formula: C98 H120.5 N1.5 O8 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: 28.0675 ± 0.0006 Å
• b: 17.6531 ± 0.0006 Å
• c: 20.9702 ± 0.0006 Å
• α: 90°
• β: 118.424 ± 0.0013°
• γ: 90°
• Cell volume: 9137.7 ± 0.5 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: 0.0609
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No