Information card for entry 2230518

Structure parameters

• Chemical name: bis(μ~2~-ethanethiolato)-1:2κ^2^<i>S</i>:<i>S</i>;3:4κ^2^<i>S</i>:<i>S</i>-(μ~4~-disulfido-1:2:3:4κ^4^<i>S</i>:<i>S</i>:<i>S</i>':<i>S</i>')tetrakis[tricarbonyliron(II)](2 <i>Fe</i>—<i>Fe</i>)
• Formula: C16 H10 Fe4 O12 S4
• Calculated formula: C16 H10 Fe4 O12 S4
• SMILES: C([Fe]12(C#[O])(C#[O])[S]([S]3[Fe]4(C#[O])(C#[O])(C#[O])[S](CC)[Fe]34(C#[O])(C#[O])C#[O])[Fe]2(C#[O])(C#[O])(C#[O])[S]1CC)#[O]
• Title of publication: A triclinic polymorph of bis(μ~2~-ethanethiolato)-1:2κ^2^<i>S</i>:<i>S</i>;3:4κ^2^<i>S</i>:<i>S</i>-(μ~4~-disulfido-1:2:3:4κ^4^<i>S</i>:<i>S</i>:<i>S</i>':<i>S</i>')tetrakis[tricarbonyliron(II)](2 <i>Fe</i>—<i>Fe</i>)
• Authors of publication: Si, Youtao; Chen, Hui; Chen, Chang Neng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m752 - m753
• a: 8.365 ± 0.004 Å
• b: 9.296 ± 0.005 Å
• c: 10.209 ± 0.005 Å
• α: 87.57 ± 0.02°
• β: 70.082 ± 0.017°
• γ: 66.103 ± 0.017°
• Cell volume: 678.2 ± 0.6 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes