Information card for entry 7707403

Structure parameters

• Formula: C44 H74 O P2 U
• Calculated formula: C44 H74 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)([O]=P(C)(C)C)=Pc1c(cc(cc1C(C)C)C(C)C)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: 11.247 ± 0.0004 Å
• b: 13.893 ± 0.0006 Å
• c: 15.3588 ± 0.0008 Å
• α: 77.525 ± 0.004°
• β: 76.193 ± 0.004°
• γ: 75.636 ± 0.004°
• Cell volume: 2226.1 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No