Information card for entry 4087534

Structure parameters

• Formula: C23 H21 Fe2 N O7 S
• Calculated formula: C23 H21 Fe2 N O7 S
• SMILES: [Fe]12([Fe]([S]1C1CCCCC1)([O]=C2c1c2c(n(c1C)C)cccc2)(C#[O])(C#[O])C#[O])(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: 8.7333 ± 0.0017 Å
• b: 15.6 ± 0.003 Å
• c: 19.086 ± 0.004 Å
• α: 109.39 ± 0.03°
• β: 95.97 ± 0.03°
• γ: 98.96 ± 0.03°
• Cell volume: 2388.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No