Information card for entry 1560032

Structure parameters

• Common name: 5
• Chemical name: 5
• Formula: C26 H50 O Si4 U
• Calculated formula: C26 H50 O Si4 U
• SMILES: [U]123456789(OCC)(C%10([Si](C)(C)C)C([Si](C)(C)C)[C]2([Si](C)(C)C)=[C]1%10[Si](C)(C)C)[CH]1=[CH]3[CH]7=[CH]9[CH]8=[CH]5[CH]6=[CH]41
• 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: 17.5935 ± 0.0003 Å
• b: 9.977 ± 0.0002 Å
• c: 18.6747 ± 0.0004 Å
• α: 90°
• β: 110.001 ± 0.002°
• γ: 90°
• Cell volume: 3080.27 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0967
• 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: No
• Has Fobs: No