Information card for entry 7201279

Structure parameters

• Formula: C34 H48 N8 O24 Sm2 U2
• Calculated formula: C34 H48 N8 O24 Sm2 U2
• Title of publication: Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2319
• a: 13.1889 ± 0.0006 Å
• b: 8.607 ± 0.0004 Å
• c: 20.4006 ± 0.0005 Å
• α: 90°
• β: 93.461 ± 0.003°
• γ: 90°
• Cell volume: 2311.59 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No