Information card for entry 7111263

Structure parameters

• Formula: C55 H88 N3 O4.5 U
• Calculated formula: C55 H88 N3 O4.5 U
• Title of publication: Uranium complexes supported by an aryloxide functionalised triazacyclononane macrocycle: synthesis and characterisation of a six-coordinate U(III) species and insights into its reactivity
• Authors of publication: Castro-Rodriguez, Ingrid; Olsen, Kristian; Gantzel, Peter; Meyer, Karsten
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2764 - 2765
• a: 14.855 ± 0.0017 Å
• b: 15.0174 ± 0.0017 Å
• c: 15.2609 ± 0.0017 Å
• α: 60.832 ± 0.002°
• β: 74.682 ± 0.002°
• γ: 66.58 ± 0.002°
• Cell volume: 2717.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No