Information card for entry 2010649

Structure parameters

• Chemical name: Octacarbonyl-bis(μ-4-methoxyphenyl-sulphido)-dirhenium
• Formula: C22 H14 O10 Re2 S2
• Calculated formula: C22 H14 O10 Re2 S2
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])([S](c2ccc(OC)cc2)[Re](C#[O])(C#[O])(C#[O])(C#[O])[S]1c1ccc(OC)cc1)C#[O]
• Title of publication: Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores
• Authors of publication: Flörke, Ulrich; Egold, Hans; Schwarze, Detlev
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 184 - 186
• a: 9.731 ± 0.002 Å
• b: 9.638 ± 0.001 Å
• c: 13.772 ± 0.001 Å
• α: 90°
• β: 107.66 ± 0.01°
• γ: 90°
• Cell volume: 1230.8 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes