Information card for entry 7036025

Structure parameters

• Formula: C37 H45 Fe N3 O4 Si
• Calculated formula: C37 H45 Fe N3 O4 Si
• SMILES: [Fe]([Si]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, structure and reactivity of a donor-stabilised silylene with a bulky bidentate benzamidinato ligand.
• Authors of publication: Tacke, Reinhold; Kobelt, Claudia; Baus, Johannes A.; Bertermann, Rüdiger; Burschka, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14959 - 14974
• a: 10.2963 ± 0.0019 Å
• b: 10.5302 ± 0.0019 Å
• c: 16.804 ± 0.003 Å
• α: 93.254 ± 0.017°
• β: 93.943 ± 0.017°
• γ: 104.57 ± 0.02°
• Cell volume: 1754 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No