Information card for entry 4327112

Structure parameters

• Formula: C42 H55 Cl2 Fe2 O6 P3 S2
• Calculated formula: C42 H55 Cl2 Fe2 O6 P3 S2
• Title of publication: Oxidatively Induced Reactivity of [Fe2(CO)4(κ2-dppe)(μ-pdt)]: an Electrochemical and Theoretical Study of the Structure Change and Ligand Binding Processes
• Authors of publication: Dounia Chouffai; Giuseppe Zampella; Jean-François Capon; Luca De Gioia; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12575 - 12585
• a: 16.936 ± 0.0009 Å
• b: 10.7232 ± 0.0005 Å
• c: 25.4174 ± 0.0013 Å
• α: 90°
• β: 93.334 ± 0.004°
• γ: 90°
• Cell volume: 4608.2 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No