Information card for entry 7707406

Structure parameters

• Formula: C44 H57 Cl O P U
• Calculated formula: C44 H57 Cl O P U
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[U]16782345([c]2([cH]8[cH]7[c]6([cH]12)C(C)(C)C)C(C)(C)C)(Cl)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)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: 12.3468 ± 0.0003 Å
• b: 14.2113 ± 0.0003 Å
• c: 22.6534 ± 0.0004 Å
• α: 90°
• β: 95.035 ± 0.002°
• γ: 90°
• Cell volume: 3959.52 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No