Information card for entry 2243782

Structure parameters

• Chemical name: (Borohydrido-κ^3^<i>H</i>)tris[η^5^-(trimethylsilyl)cyclopentadienyl]uranium(IV)
• Formula: C24 H43 B Si3 U
• Calculated formula: C24 H43 B Si3 U
• SMILES: [U]123456789%10%11%12%13%14([H][BH]([H]1)[H]2)([cH]1[cH]4[cH]5[c]3([Si](C)(C)C)[cH]19)([cH]1[cH]6[cH]7[cH]%10[c]1%11[Si](C)(C)C)[cH]1[cH]%12[cH]%13[c]%14([cH]81)[Si](C)(C)C
• Title of publication: Crystallographic characterization of (C~5~H~4~SiMe~3~)~3~U(BH~4~)
• Authors of publication: Windorff, Cory J.; Cross, Justin N.; Scott, Brian L.; Kozimor, Stosh A.; Evans, William J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 4
• Pages of publication: 383 - 389
• a: 8.753 ± 0.0015 Å
• b: 12.217 ± 0.002 Å
• c: 13.657 ± 0.002 Å
• α: 94.159 ± 0.003°
• β: 96.016 ± 0.003°
• γ: 103.256 ± 0.003°
• Cell volume: 1406.6 ± 0.4 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 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: 0.0466
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes