Information card for entry 7201281

Structure parameters

• Formula: C38 H64 Gd2 N8 O44 U4
• Calculated formula: C38 H54 Gd2 N8 O44 U4
• 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: 43.698 ± 0.002 Å
• b: 8.3956 ± 0.0003 Å
• c: 19.467 ± 0.0008 Å
• α: 90°
• β: 115.999 ± 0.002°
• γ: 90°
• Cell volume: 6419.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No