Information card for entry 7202273

Structure parameters

• Formula: C18 H33 Gd N4 O21 U2
• Calculated formula: C18 H27 Gd N4 O21 U2
• Title of publication: The first uranyl‒lanthanide heterometallic complexes: metal‒organic frameworks with DOTA and oxalato ligands
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1126
• a: 8.1806 ± 0.0004 Å
• b: 12.3357 ± 0.0004 Å
• c: 15.929 ± 0.0008 Å
• α: 73.757 ± 0.003°
• β: 83.508 ± 0.002°
• γ: 83.782 ± 0.003°
• Cell volume: 1528.43 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No