Information card for entry 1560034

Structure parameters

• Formula: C84 H168 Si12 U2
• Calculated formula: C84 H168 Si12 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: 26.7057 ± 0.0003 Å
• b: 15.99077 ± 0.00015 Å
• c: 26.5612 ± 0.0004 Å
• α: 90°
• β: 117.35 ± 0.0017°
• γ: 90°
• Cell volume: 10074.9 ± 0.3 ų
• Cell temperature: 99.9 ± 0.9 K
• Ambient diffraction temperature: 99.9 ± 0.9 K
• Number of distinct elements: 4
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No