Information card for entry 7707409

Structure parameters

• Formula: C58 H85 N O P2 U
• Calculated formula: C58 H85 N O P2 U
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[U]16782345([c]2([cH]1[c]6([cH]7[cH]82)C(C)(C)C)C(C)(C)C)(=NC(C(c1ccccc1)c1ccccc1)=Pc1c(cc(cc1C(C)C)C(C)C)C(C)C)[O]=P(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η⁵-1,3-(Me₃C)₂C₅H₃]₂U([double bond, length as m-dash]P-2,4,6-ⁱPr₃C₆H₂)(OPMe₃).
• Authors of publication: Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 8349 - 8363
• a: 11.2617 ± 0.0003 Å
• b: 12.8896 ± 0.0003 Å
• c: 20.1027 ± 0.0005 Å
• α: 101.398 ± 0.002°
• β: 105.08 ± 0.002°
• γ: 93.693 ± 0.002°
• Cell volume: 2741.27 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No