Information card for entry 7042325

Structure parameters

• Formula: C64 H82 N2 U
• Calculated formula: C64 H82 N2 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)N(c1ccc(cc1)C)C(/C=N/c1ccc(cc1)C)C(=C9C#Cc1ccccc1)c1ccccc1)C(C)(C)C)C(C)(C)C.CCCCCC
• 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: 10.9194 ± 0.0004 Å
• b: 14.2942 ± 0.0005 Å
• c: 18.0576 ± 0.0005 Å
• α: 76.408 ± 0.003°
• β: 88.112 ± 0.003°
• γ: 86.399 ± 0.003°
• Cell volume: 2733.68 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0577
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No