Information card for entry 1560035

Structure parameters

• Common name: 3
• Chemical name: C24H44Si4U
• Formula: C24 H44 Si4 U
• Calculated formula: C24 H44 Si4 U
• SMILES: [U]123456789%10([CH]%11=[CH]2[CH]6=[CH]8[CH]9=[CH]%10[CH]7=[CH]5%11)[C]2(=[C]4([Si](C)(C)C)[C]3([Si](C)(C)C)=[C]12[Si](C)(C)C)[Si](C)(C)C
• 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: 31.8409 ± 0.0002 Å
• b: 31.8409 ± 0.0002 Å
• c: 11.0234 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11176 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No