Information card for entry 1564602

Structure parameters

• Formula: C30 H62 I4 O9 U2
• Calculated formula: C31 H54 I4 O9 U2
• Title of publication: Actinide arene-metalates: Ion pairing effects on the electronic structure of unsupported uranium-arenide sandwich complexes
• Authors of publication: Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Meulenberg, Robert W.; Miro Ramirez, Pere; Metta-Magana, Alejandro J Jose; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 14.4373 ± 0.0019 Å
• b: 17.215 ± 0.002 Å
• c: 9.3631 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No