Information card for entry 2229958

Structure parameters

• Chemical name: Trichlorido(tetrahydrofuran){(1,2,3,3a,7a-η)-1-[2-(1-trimethylsilyl- 1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1-methylpropyl]indenyl}zirconium(IV)
• Formula: C23 H33 Cl3 N2 O Si Zr
• Calculated formula: C23 H33 Cl3 N2 O Si Zr
• SMILES: [Zr]12345(Cl)(Cl)(Cl)([O]6CCCC6)[n]6c(n([Si](C)(C)C)cc6)CC(C)(C)[c]61[cH]2[cH]3[c]14cccc[c]561
• Title of publication: Trichlorido(tetrahydrofuran){(1,2,3,3a,7a-η)-1-[2-(1-trimethylsilyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1-methylpropyl]indenyl}zirconium(IV)
• Authors of publication: Guan, Shengzhou; Nie, Wanli; Borzov, Maxim V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m540 - m541
• a: 10.6274 ± 0.0008 Å
• b: 10.9496 ± 0.0007 Å
• c: 13.1397 ± 0.0009 Å
• α: 102.72 ± 0.001°
• β: 101.416 ± 0.001°
• γ: 110.456 ± 0.001°
• Cell volume: 1332.73 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes