Information card for entry 2241092

Structure parameters

• Chemical name: Di-μ-isobutyrato-κ^4^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-dichlorido(dimethyl sulfoxide-κ<i>S</i>)rhenium(III)]
• Formula: C12 H26 Cl4 O6 Re2 S2
• Calculated formula: C12 H26 Cl4 O6 Re2 S2
• SMILES: [Re]12([Re](Cl)(Cl)([O]=C(O1)C(C)C)(OC(=[O]2)C(C)C)[O]=S(C)C)(Cl)(Cl)[O]=S(C)C
• Title of publication: Crystal structure of di-μ-isobutyrato-κ^4^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-dichlorido(dimethyl sulfoxide-κ<i>S</i>)rhenium(III)]
• Authors of publication: Golichenko, Alexander A.; Shtemenko, Alexander V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: 1219 - 1221
• a: 10.5581 ± 0.0004 Å
• b: 14.7406 ± 0.0005 Å
• c: 15.6088 ± 0.0006 Å
• α: 90°
• β: 100.794 ± 0.002°
• γ: 90°
• Cell volume: 2386.26 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes