Information card for entry 2004589

Structure parameters

• Common name: Tetrachlorobis(tetrahydrofuran)zirconium
• Chemical name: Tetrachlorobis(tetrahydrofuran)zirconium
• Formula: C8 H16 Cl4 O2 Zr
• Calculated formula: C8 H16 Cl4 O2 Zr
• SMILES: [Zr](Cl)(Cl)(Cl)(Cl)([O]1CCCC1)[O]1CCCC1
• Title of publication: Tetrachlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)
• Authors of publication: Eberle, M.; Röhr, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 566 - 568
• a: 14.428 ± 0.006 Å
• b: 12.885 ± 0.006 Å
• c: 7.999 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1487.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections: 0.1965
• Weighted residual factors for significantly intense reflections: 0.1879
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No