Information card for entry 2220470

Structure parameters

• Chemical name: Dibromido[bis(η^5^-cyclopentadienyl)dimethylsilane]zirconium(IV)
• Formula: C12 H14 Br2 Si Zr
• Calculated formula: C12 H14 Br2 Si Zr
• SMILES: [c]123[cH]4[cH]5[cH]6[Zr]789%10145(Br)([c]1([cH]7[cH]8[cH]9[cH]%101)[Si]3(C)C)([cH]26)Br
• Title of publication: Dibromido[bis(η^5^-cyclopentadienyl)dimethylsilane]zirconium(IV)
• Authors of publication: Erben, Milan; Dušek, Michal; Picka, Michal; Vinklárek, Jaromír
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m92
• a: 13.616 ± 0.0004 Å
• b: 10.099 ± 0.0002 Å
• c: 10.977 ± 0.0003 Å
• α: 90°
• β: 112.254 ± 0.0012°
• γ: 90°
• Cell volume: 1396.99 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes