Information card for entry 7015306

Structure parameters

• Common name: Complex 4
• Formula: C11 H15 Fe2 I O5 S3
• Calculated formula: C11 H15 Fe2 I O5 S3
• SMILES: [Fe]12([S]([Fe](I)([S]1CC)([S]2CC)(C#[O])C#[O])CC)(C#[O])(C#[O])C#[O]
• Title of publication: Diiron carbonyl complexes possessing a {Fe(II)Fe(II)} core: synthesis, characterisation, and electrochemical investigation.
• Authors of publication: Xiao, Zhiyin; Wei, Zhenhong; Long, Li; Wang, Yongli; Evans, David J.; Liu, Xiaoming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4291 - 4299
• a: 15.888 ± 0.002 Å
• b: 17.307 ± 0.003 Å
• c: 28.582 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7859 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No