Information card for entry 7033144

Structure parameters

• Formula: C26 H24 S2 Si
• Calculated formula: C26 H24 S2 Si
• SMILES: [Si]([C@@H](S)c1ccccc1)([C@H](S)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model.
• Authors of publication: Goy, Roman; Bertini, Luca; Elleouet, Catherine; Görls, Helmar; Zampella, Giuseppe; Talarmin, Jean; De Gioia, Luca; Schollhammer, Philippe; Apfel, Ulf-Peter; Weigand, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1690 - 1699
• a: 12.5725 ± 0.0007 Å
• b: 10.0053 ± 0.0003 Å
• c: 18.5969 ± 0.0009 Å
• α: 90°
• β: 105.747 ± 0.002°
• γ: 90°
• Cell volume: 2251.54 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No