Information card for entry 7130401

Structure parameters

• Formula: C90 H121 N6 O6 P2 U2
• Calculated formula: C90 H121 N6 O6 P2 U2
• Title of publication: Actinide arene-metalates: 2. A neutral uranium bis(anthracenide) sandwich complex and elucidation of its electronic structure
• Authors of publication: Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Miró, Pere; Metta-Magaña, Alejandro; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.3829 ± 0.0007 Å
• b: 20.2202 ± 0.0016 Å
• c: 19.4228 ± 0.0013 Å
• α: 90°
• β: 91.291 ± 0.002°
• γ: 90°
• Cell volume: 4076.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1196
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No