Information card for entry 4345614

Structure parameters

• Common name: LiU24Fe24
• Chemical name: U-Fe cluster
• Formula: C96 Fe48 Li12 O956 P112 U48
• Calculated formula: C96 Fe48 Li12 O956 P112 U48
• Title of publication: Uranyl-Peroxide Clusters Incorporating Iron Trimers and Bridging by Bisphosphonate- and Carboxylate-Containing Ligands.
• Authors of publication: Qiu, Jie; Dong, Sining; Szymanowski, Jennifer E. S.; Dobrowolska, Malgorzata; Burns, Peter C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 3738 - 3741
• a: 41.196 ± 0.005 Å
• b: 41.196 ± 0.005 Å
• c: 41.196 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69914 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.3012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No