Information card for entry 4084533

Structure parameters

• Formula: C20 H28 Fe N4 O2 Si2
• Calculated formula: C20 H28 Fe N4 O2 Si2
• SMILES: [Fe]1([Si](c2ccccc2[Si]1(C)C)(C)C)([n]1n(ccc1)C)([n]1n(ccc1)C)(C#[O])C#[O]
• 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: 8.7016 ± 0.0015 Å
• b: 16.87 ± 0.003 Å
• c: 15.72 ± 0.003 Å
• α: 90°
• β: 93.338 ± 0.003°
• γ: 90°
• Cell volume: 2303.7 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No