Information card for entry 1560033

Structure parameters

• Common name: 2 and 3
• Chemical name: 2 and 3
• Formula: C58.34 H113.47 O Si9 U2
• Calculated formula: C58.34 H113.46 O Si9 U2
• Title of publication: Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes
• Authors of publication: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2948 - 2954
• a: 20.3708 ± 0.0002 Å
• b: 20.3708 ± 0.0002 Å
• c: 16.6734 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6918.95 ± 0.16 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No