Information card for entry 4130235

Structure parameters

• Formula: C30 H48 Si2 U
• Calculated formula: C30 H48 Si2 U
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[U]16789%10%112345([c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C(=[C]9=[C]%10=C%11[Si](C)(C)C)[Si](C)(C)C)C)C)C)C
• Title of publication: Influence of the 5f Orbitals on the Bonding and Reactivity in Organoactinides: Experimental and Computational Studies on a Uranium Metallacyclopropene.
• Authors of publication: Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 15
• Pages of publication: 5130 - 5142
• a: 10.638 ± 0.003 Å
• b: 17.957 ± 0.005 Å
• c: 16.468 ± 0.005 Å
• α: 90°
• β: 96.93 ± 0.005°
• γ: 90°
• Cell volume: 3122.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0517
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No