Information card for entry 4087533

Structure parameters

• Formula: C19 H14 Fe2 O7 S2
• Calculated formula: C19 H14 Fe2 O7 S2
• SMILES: [Fe]12([Fe]([S]1C(C)C)(C#[O])(C#[O])(C#[O])C(=[O]2)c1c2ccccc2sc1C)(C#[O])(C#[O])C#[O]
• Title of publication: Palladium-Catalyzed Reactions of [Et3NH]+Salts of [(μ-RS)(μ-CO)Fe2(CO)6]−Anions with Iodo-Aromatic Compounds To Give the Corresponding Butterfly μ-Acyl Fe/S Cluster Complexes
• Authors of publication: Song, Li-Cheng; Tan, Hao; Zhu, An-Guo; Hu, Yuan-Yuan; Chen, Hao
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1730
• a: 21.663 ± 0.004 Å
• b: 12.539 ± 0.003 Å
• c: 15.187 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4125.3 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No