Information card for entry 2009472

Structure parameters

• Chemical name: tetrakis(dimethyl sulfoxide)di-μ-fluoro-hexafluorodizirconium(IV)
• Formula: C8 H24 F8 O4 S4 Zr2
• Calculated formula: C4 H12 F4 O2 S2 Zr
• SMILES: F[Zr]1(F)([O]=S(C)C)([F][Zr]([F]1)(F)(F)(F)([O]=S(C)C)[O]=S(C)C)(F)[O]=S(C)C
• Title of publication: Di-μ-fluoro-bis[bis(dimethyl sulfoxide)trifluorozirconium(IV)]
• Authors of publication: Alcock, Nathaniel W.; Errington, William; Golby, Sarah L.; Patterson, Siobhan M.C.; Wallbridge, Malcolm G.H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 226 - 227
• a: 8.831 ± 0.002 Å
• b: 11.955 ± 0.002 Å
• c: 10.834 ± 0.002 Å
• α: 90°
• β: 108.12 ± 0.03°
• γ: 90°
• Cell volume: 1087.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1497
• Weighted residual factors for significantly intense reflections: 0.1497
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No