Information card for entry 7707890

Structure parameters

• Formula: C47 H79 N O P2 Si4 U
• Calculated formula: C47 H79 N O P2 Si4 U
• SMILES: [U]123456789([O]=P(C)(C)C)([N](c%10ccccc%10)=[C]8=Pc8c(cc(cc8C(C)C)C(C)C)C(C)C)([cH]8[c]9([Si](C)(C)C)[cH]3[cH]2[c]18[Si](C)(C)C)[c]1([cH]4[c]5([Si](C)(C)C)[cH]6[cH]71)[Si](C)(C)C
• Title of publication: Synthesis and reactivity of the uranium phosphinidene metallocene [η⁵-1,3-(Me₃Si)₂C₅H₃]₂U(P-2,4,6-ⁱPr₃C₆H₂)(OPMe₃): influence of the coordinated Lewis base.
• Authors of publication: Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12502 - 12516
• a: 11.6693 ± 0.0001 Å
• b: 11.4991 ± 0.0002 Å
• c: 39.0487 ± 0.0004 Å
• α: 90°
• β: 92.693 ± 0.001°
• γ: 90°
• Cell volume: 5234.02 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No