Information card for entry 2202198

Structure parameters

• Chemical name: Bis (mu-phenylthiodiiron-hexacarbonyl) (mu~4~-sulfido)
• Formula: C24 H10 Fe4 O12 S3
• Calculated formula: C24 H10 Fe4 O12 S3
• SMILES: [Fe]12([Fe](S31[Fe]1([Fe]3([S]1c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([S]2c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: μ~4~-Sulfido-bis(μ~2~-phenylthiolato)tetrakis(tricarbonyliron)
• Authors of publication: Hu, Mingqiang; Ma, Chengbing; Zhang, Xiaofeng; Fang, Cheng; Chen, Feng; Chen, Changneng; Liu, Qiutian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m55 - m56
• a: 9.0026 ± 0.0002 Å
• b: 12.9509 ± 0.0004 Å
• c: 26.5409 ± 0.0002 Å
• α: 90°
• β: 97.612 ± 0.001°
• γ: 90°
• Cell volume: 3067.18 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes