Information card for entry 4084535

Structure parameters

• Formula: C20 H28 Fe N4 O2 Si2
• Calculated formula: C20 H28 Fe N4 O2 Si2
• SMILES: C(#[O])[Fe]1([n]2cn(cc2)C)([Si](c2ccccc2[Si]1(C)C)(C)C)(C#[O])[n]1cn(cc1)C
• Title of publication: Disilaferracycle Dicarbonyl Complex Containing Weakly Coordinated η2-(H-Si) Ligands: Application to C‒H Functionalization of Indoles and Arenes
• Authors of publication: Sunada, Yusuke; Soejima, Hiroe; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 5936
• a: 31.034 ± 0.009 Å
• b: 11.104 ± 0.003 Å
• c: 13.296 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4582 ± 2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No