Information card for entry 7042322

Structure parameters

• Formula: C49 H62 N2 U
• Calculated formula: C49 H62 N2 U
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[U]16789%10%112345([c]2([cH]1[c]6([cH]7[cH]82)C(C)(C)C)C(C)(C)C)[CH](=[C]9=[C]%10=C(c1cc(cc[n]%111)N(C)C)c1ccccc1)c1ccccc1)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: 10.997 ± 0.015 Å
• b: 12.383 ± 0.017 Å
• c: 15.72 ± 0.02 Å
• α: 91.91 ± 0.02°
• β: 90.78 ± 0.02°
• γ: 97.89 ± 0.02°
• Cell volume: 2119 ± 5 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: 0.1155
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No