Information card for entry 7212326

Structure parameters

• Formula: C18 H34 Cl N5 O14 U
• Calculated formula: C18 H34 Cl N5 O14 U
• Title of publication: Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)
• Authors of publication: Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1905
• a: 20.3512 ± 0.0013 Å
• b: 12.8168 ± 0.0006 Å
• c: 10.9421 ± 0.0006 Å
• α: 90°
• β: 103.303 ± 0.004°
• γ: 90°
• Cell volume: 2777.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No