Information card for entry 7710609

Structure parameters

• Formula: C66 H90 O2 Si6 U
• Calculated formula: C66 H90 O2 Si6 U
• SMILES: [U]123456789(O[C@@](C)(c%10ccccc%10)C(=C=C=C(c%10ccccc%10)[C@](O1)(C)c1ccccc1)c1ccccc1)([c]1([Si](C)(C)C)[c]2([Si](C)(C)C)[cH]3[c]4([Si](C)(C)C)[cH]51)[c]1([Si](C)(C)C)[c]6([Si](C)(C)C)[cH]7[c]8([Si](C)(C)C)[cH]91.c1ccccc1.[U]123456789(O[C@](C)(c%10ccccc%10)C(=C=C=C(c%10ccccc%10)[C@@](O1)(C)c1ccccc1)c1ccccc1)([c]1([Si](C)(C)C)[c]2([Si](C)(C)C)[cH]3[c]4([Si](C)(C)C)[cH]51)[c]1([Si](C)(C)C)[c]6([Si](C)(C)C)[cH]7[c]8([Si](C)(C)C)[cH]91.c1ccccc1
• Title of publication: Intrinsic reactivity of [η⁵-1,3-(Me₃Si)₂C₅H₃]₂U(η⁴-C₄Ph₂) in small molecule activation.
• Authors of publication: Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 29
• Pages of publication: 11072 - 11085
• a: 11.57 ± 0.0005 Å
• b: 12.2058 ± 0.0005 Å
• c: 23.538 ± 0.0006 Å
• α: 90.262 ± 0.003°
• β: 102.482 ± 0.003°
• γ: 90.682 ± 0.003°
• Cell volume: 3245.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0734
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No