Information card for entry 7017962

Structure parameters

• Formula: C38 H44 N2 O5 U
• Calculated formula: C38 H44 N2 O5 U
• Title of publication: An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties.
• Authors of publication: Lombardo, Giuseppe M.; Thompson, Amber L.; Ballistreri, Francesco P.; Pappalardo, Andrea; Sfrazzetto, Giuseppe Trusso; Tomaselli, Gaetano A.; Toscano, Rosa M.; Punzo, Francesco
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1951 - 1960
• a: 13.3313 ± 0.0001 Å
• b: 19.955 ± 0.0002 Å
• c: 14.1647 ± 0.0001 Å
• α: 90°
• β: 109.127 ± 0.0004°
• γ: 90°
• Cell volume: 3560.16 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No