Information card for entry 7042324

Structure parameters

• Formula: C49 H57 N S U
• Calculated formula: C49 H57 N S U
• SMILES: [c]12([cH]3[cH]4[c]5([cH]1[U]16789%10%112345([c]2([cH]8[cH]7[c]6([cH]12)C(C)(C)C)C(C)(C)C)[C](=C(C(S%11)=Nc1ccccc1)c1ccccc1)=[C]9=C%10c1ccccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Preparation of a uranium metallacyclocumulene and its reactivity towards unsaturated organic molecules.
• Authors of publication: Zhang, Lei; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3716 - 3728
• a: 21.053 ± 0.012 Å
• b: 11.027 ± 0.006 Å
• c: 18.894 ± 0.01 Å
• α: 90°
• β: 107.466 ± 0.009°
• γ: 90°
• Cell volume: 4184 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0907
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No