Information card for entry 4087111

Structure parameters

• Formula: C39 H55 N Si2 U
• Calculated formula: C39 H55 N 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]82CC(=C[C]9(=[CH]%10[Si](C)(C)C)c1ccc2ccccc2[n]1%11)[Si](C)(C)C)C)C)C)C)C)C)C)C
• Title of publication: Experimental and Computational Studies of a Uranium Metallacyclocumulene
• Authors of publication: Zhang, Lei; Fang, Bo; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 898
• a: 10.176 ± 0.009 Å
• b: 11.81 ± 0.011 Å
• c: 16.215 ± 0.015 Å
• α: 73.77 ± 0.018°
• β: 89.12 ± 0.017°
• γ: 76.105 ± 0.017°
• Cell volume: 1813 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No