Information card for entry 7024020

Structure parameters

• Formula: C17 H28 Fe O2 S2 Si2
• Calculated formula: C17 H28 Fe O2 S2 Si2
• SMILES: [Fe]12([S](C)CCC[S]1C)([Si](c1ccccc1[Si]2(C)C)(C)C)(C#[O])C#[O]
• Title of publication: Catalyst design for iron-promoted reductions: an iron disilyl-dicarbonyl complex bearing weakly coordinating η(2)-(H-Si) moieties.
• Authors of publication: Sunada, Yusuke; Tsutsumi, Hironori; Shigeta, Keisuke; Yoshida, Ryota; Hashimoto, Toru; Nagashima, Hideo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16687 - 16692
• a: 16.522 ± 0.004 Å
• b: 9.0451 ± 0.0018 Å
• c: 15.932 ± 0.004 Å
• α: 90°
• β: 116.341 ± 0.003°
• γ: 90°
• Cell volume: 2133.7 ± 0.9 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No