Information card for entry 7201282

Structure parameters

• Formula: C18 H27 Gd N4 O18 U2
• Calculated formula: C18 H24 Gd N4 O18 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: 13.4846 ± 0.0013 Å
• b: 6.6387 ± 0.0011 Å
• c: 16.759 ± 0.002 Å
• α: 90°
• β: 111.391 ± 0.008°
• γ: 90°
• Cell volume: 1396.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2183
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No