Information card for entry 4084377

Structure parameters

• Formula: C23 H31 Cl3 N2 Si
• Calculated formula: C23 H31 Cl3 N2 Si
• SMILES: [Si]1(Cl)(Cl)(Cl)[N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)C(C)(C)C
• 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: 9.7413 ± 0.0008 Å
• b: 10.4158 ± 0.0008 Å
• c: 14.2327 ± 0.0008 Å
• α: 72.515 ± 0.006°
• β: 70.843 ± 0.006°
• γ: 64.865 ± 0.008°
• Cell volume: 1212.86 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No