Information card for entry 4338950

Structure parameters

• Common name: EuTR12HOPO
• Formula: C30.5 H39.5 Eu N8.5 O11
• Calculated formula: C30.5 H39.5 Eu N8.5 O11
• Title of publication: 1,2-hydroxypyridonates as contrast agents for magnetic resonance imaging: TREN-1,2-HOPO.
• Authors of publication: Jocher, Christoph J.; Moore, Evan G.; Xu, Jide; Avedano, Stefano; Botta, Mauro; Aime, Silvio; Raymond, Kenneth N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9182 - 9191
• a: 15.412 ± 0.005 Å
• b: 10.972 ± 0.003 Å
• c: 25.15 ± 0.008 Å
• α: 90°
• β: 102.19 ± 0.005°
• γ: 90°
• Cell volume: 4157 ± 2 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No