Information card for entry 2208086

Structure parameters

• Chemical name: Bis(μ-methyl mercaptoacetato-κ^2^S:S)bis[tricarbonyliron(II)]
• Formula: C12 H10 Fe2 O10 S2
• Calculated formula: C12 H10 Fe2 O10 S2
• SMILES: C(C(=O)OC)[S]1[Fe]2(C#[O])(C#[O])(C#[O])[S](CC(=O)OC)[Fe]12(C#[O])(C#[O])C#[O]
• Title of publication: Bis(μ-methyl mercaptoacetato-κ^2^<i>S</i>:<i>S</i>)bis[tricarbonyliron(I)]
• Authors of publication: Jin-Ting Liu; Yu-Chang Du; Lei Zhang; Yan-Jun Mao; Yun-Long Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m237 - m238
• a: 24.339 ± 0.004 Å
• b: 5.9939 ± 0.0009 Å
• c: 17.033 ± 0.003 Å
• α: 90°
• β: 132.189 ± 0.001°
• γ: 90°
• Cell volume: 1841.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes