Information card for entry 2226553

Structure parameters

• Chemical name: μ~4~-Sulfido-bis{(μ-2- furylmethanethiolato)bis[tricarbonyliron](<i>Fe</i>—<i>Fe</i>)}
• Formula: C22 H10 Fe4 O14 S3
• Calculated formula: C22 H10 Fe4 O14 S3
• SMILES: [Fe]12([Fe]([S]1Cc1occc1)(S12[Fe]2([Fe]1([S]2Cc1occc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: μ~4~-Sulfido-bis{(μ-2-furylmethanethiolato)bis[tricarbonyliron](<i>Fe</i>—<i>Fe</i>)}
• Authors of publication: Han, Cong; Huang, Xiao-Nan; Guo, Yan-Ling; Liu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m820
• a: 9.0335 ± 0.0018 Å
• b: 9.984 ± 0.002 Å
• c: 16.821 ± 0.003 Å
• α: 82.89 ± 0.03°
• β: 75.75 ± 0.03°
• γ: 89.68 ± 0.03°
• Cell volume: 1458.6 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0371
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes