Information card for entry 4315083

Structure parameters

• Formula: C37 H10 Cl10 Fe4 O12 S4
• Calculated formula: C37 H10 Cl10 Fe4 O12 S4
• Title of publication: Effect of Electron-Withdrawing Dithiolate Bridge on the Electron-Transfer Steps in Diiron Molecules Related to [2Fe]H Subsite of the [FeFe]-Hydrogenases
• Authors of publication: Kévin Charreteur; Mohamed Kdider; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2496 - 2501
• a: 21.9 ± 0.002 Å
• b: 12.0018 ± 0.0014 Å
• c: 18.086 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4753.7 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.1551
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No