Information card for entry 4084381

Structure parameters

• Formula: C23 H33 Fe N3 O4 Si
• Calculated formula: C23 H33 Fe N3 O4 Si
• SMILES: [Fe]([SiH]1[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: From Unsymmetrically Substituted Benzamidinato and Guanidinato Dichlorohydridosilanes to Novel Hydrido N-Heterocyclic Silylene Iron Complexes
• Authors of publication: Blom, Burgert; Pohl, Markus; Tan, Gengwen; Gallego, Daniel; Driess, Matthias
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5272
• a: 17.9112 ± 0.001 Å
• b: 9.0456 ± 0.0003 Å
• c: 19.0419 ± 0.0011 Å
• α: 90°
• β: 120.609 ± 0.008°
• γ: 90°
• Cell volume: 2655.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No