Information card for entry 7104304

Structure parameters

• Formula: C40.5 H62.5 K N3 O4 U
• Calculated formula: C40.5 H62.5 K 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: 11.7846 ± 0.0003 Å
• b: 30.2442 ± 0.0005 Å
• c: 13.0298 ± 0.0003 Å
• α: 90°
• β: 102.368 ± 0.002°
• γ: 90°
• Cell volume: 4536.26 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.69408 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No