Information card for entry 7707886

Structure parameters

• Formula: C34 H62 N O P Si4 U
• Calculated formula: C34 H62 N O P Si4 U
• SMILES: [c]12([cH]3[cH]4[c]5([cH]1[U]16782345([c]2([cH]1[c]6([cH]7[cH]82)[Si](C)(C)C)[Si](C)(C)C)(=Nc1c(cc(cc1C)C)C)[O]=P(C)(C)C)[Si](C)(C)C)[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: 13.8316 ± 0.0003 Å
• b: 20.3339 ± 0.0004 Å
• c: 15.0866 ± 0.0003 Å
• α: 90°
• β: 93.183 ± 0.002°
• γ: 90°
• Cell volume: 4236.57 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No