Information card for entry 1568508

Structure parameters

• Formula: C59.95 H82 I0.03 O3.95 U2
• Calculated formula: C59.894 H82 I0.0528 O3.894 U2
• Title of publication: Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes
• Authors of publication: Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2024 - 2032
• a: 9.4109 ± 0.0016 Å
• b: 10.8091 ± 0.0017 Å
• c: 14.131 ± 0.002 Å
• α: 94.671 ± 0.005°
• β: 103.949 ± 0.005°
• γ: 92.409 ± 0.006°
• Cell volume: 1387.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No