Information card for entry 7707888

Structure parameters

• Formula: C47 H85 N O P2 Si4 U
• Calculated formula: C47 H85 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)([c]8([Si](C)(C)C)[cH]1[c]2([Si](C)(C)C)[cH]3[cH]89)[c]1([Si](C)(C)C)[cH]4[c]5([Si](C)(C)C)[cH]6[cH]71
• 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: 22.098 ± 0.0004 Å
• b: 11.5929 ± 0.0002 Å
• c: 21.5294 ± 0.0004 Å
• α: 90°
• β: 100.488 ± 0.0019°
• γ: 90°
• Cell volume: 5423.25 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No