Information card for entry 2207135

Structure parameters

• Chemical name: Dibromo(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)zirconium(IV)
• Formula: C13 H14 Br2 Zr
• Calculated formula: C13 H14 Br2 Zr
• Title of publication: Dibromo(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)zirconium(IV)
• Authors of publication: Erben, Milan; Císařová, Ivana; Vinklárek, Jaromír; Picka, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2424 - m2425
• a: 7.336 ± 0.0003 Å
• b: 8.747 ± 0.0004 Å
• c: 10.35 ± 0.0003 Å
• α: 90°
• β: 90.763 ± 0.002°
• γ: 90°
• Cell volume: 664.08 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes