Information card for entry 4087435

Structure parameters

• Formula: C25 H38 F6 Fe2 O P S3
• Calculated formula: C25 H38 F6 Fe2 O P S3
• SMILES: [Fe]123456([S]7[Fe]89%10%11([S]1CC[S]2CC7)([c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 9.6207 ± 0.0003 Å
• b: 11.6529 ± 0.0004 Å
• c: 13.8094 ± 0.0004 Å
• α: 78.574 ± 0.002°
• β: 87.877 ± 0.002°
• γ: 77.549 ± 0.002°
• Cell volume: 1481.76 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No