Information card for entry 7104305

Structure parameters

• Formula: C40.5 H62.5 N3 O4 U
• Calculated formula: C40.5 H62.5 N3 O4 U
• Title of publication: Pentavalent uranyl stabilized by a dianionic bulky tetradentate ligand.
• Authors of publication: Horeglad, Pawel; Nocton, Grégory; Filinchuk, Yaroslav; Pécaut, Jacques; Mazzanti, Marinella
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 1843 - 1845
• a: 19.6726 ± 0.0006 Å
• b: 20.078 ± 0.0006 Å
• c: 11.4096 ± 0.0003 Å
• α: 90°
• β: 101.116 ± 0.003°
• γ: 90°
• Cell volume: 4422.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No