Information card for entry 7042327

Structure parameters

• Formula: C54 H72 O2 U
• Calculated formula: C54 H72 O2 U
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[U]167892345([c]2([cH]1[c]6([cH]7[cH]82)C(C)(C)C)C(C)(C)C)OC1(C(=C=C=C(C2(CCCCC2)O9)c2ccccc2)c2ccccc2)CCCCC1)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: 10.426 ± 0.007 Å
• b: 11.296 ± 0.008 Å
• c: 22.085 ± 0.016 Å
• α: 94.734 ± 0.012°
• β: 102.021 ± 0.012°
• γ: 102.836 ± 0.011°
• Cell volume: 2458 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No