Information card for entry 2205737

Structure parameters

• Chemical name: (μ~4~-Disulfido-1:2κ^2^S;3:4κ^2^S')bis(μ~2~-ethylthiolato- κ^2^Fe,Fe')tetrakis[tricarbonyliron(II)(Fe—Fe)]
• Formula: C16 H10 Fe4 O12 S4
• Calculated formula: C16 H10 Fe4 O12 S4
• SMILES: C(#[O])[Fe]12(C#[O])(C#[O])[S](CC)[Fe]1(C#[O])(C#[O])(C#[O])[S]2[S]1[Fe]2(C#[O])(C#[O])(C#[O])[S](CC)[Fe]12(C#[O])(C#[O])C#[O]
• Title of publication: (μ~4~-Disulfido-1:2κ^2^<i>S</i>,<i>S</i>;3:4κ^2^<i>S</i>',<i>S</i>')bis(μ~2~-ethylthiolato-κ^<i>2^</i><i>S</i>:<i>S</i>)tetrakis[tricarbonyliron(II)(Fe—Fe)]
• Authors of publication: Cheng, Lan-Xia; Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Chang-Neng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m892 - m894
• a: 10.482 ± 0.0011 Å
• b: 13.1288 ± 0.0015 Å
• c: 10.0749 ± 0.0011 Å
• α: 90°
• β: 103.719 ± 0.004°
• γ: 90°
• Cell volume: 1346.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes