Information card for entry 2008905

Structure parameters

• Chemical name: hexachlorotetra(tetrahydrofuran)(μ-oxo)dizirconium
• Formula: C16 H32 Cl6 O5 Zr2
• Calculated formula: C16 H32 Cl6 O5 Zr2
• SMILES: O([Zr]([O]1CCCC1)([O]1CCCC1)(Cl)(Cl)Cl)[Zr]([O]1CCCC1)([O]1CCCC1)(Cl)(Cl)Cl
• Title of publication: μ-Oxo-bis[<i>mer</i>-trichlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)]
• Authors of publication: Guan, Jingwen; Siebel, Eric; Fischer, R. Dieter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1449 - 1451
• a: 15.689 ± 0.006 Å
• b: 11.025 ± 0.006 Å
• c: 17.641 ± 0.009 Å
• α: 90°
• β: 113.69 ± 0.07°
• γ: 90°
• Cell volume: 2794 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.1104
• Goodness-of-fit parameter for all reflections: 1.241
• Goodness-of-fit parameter for significantly intense reflections: 1.273
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No