Information card for entry 4087441

Structure parameters

• Formula: C14 H23 Cl2 Fe2 S3
• Calculated formula: C14 H23 Cl2 Fe2 S3
• SMILES: [Fe]1234567([Fe]8([S]1CC[S]3CC[S]28)(Cl)Cl)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• Title of publication: Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes
• Authors of publication: Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1661
• a: 8.7327 ± 0.0007 Å
• b: 14.0772 ± 0.0009 Å
• c: 15.9215 ± 0.0011 Å
• α: 90°
• β: 100.779 ± 0.004°
• γ: 90°
• Cell volume: 1922.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No