Information card for entry 4084380

Structure parameters

• Formula: C21 H30 Cl2 N2 Si
• Calculated formula: C21 H30 Cl2 N2 Si
• SMILES: [SiH]1(Cl)(Cl)[N](=C(N1C(C)(C)C)c1ccccc1)C12CC3CC(C1)CC(C2)C3
• 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: 15.218 ± 0.0008 Å
• b: 11.3381 ± 0.0004 Å
• c: 12.6332 ± 0.0006 Å
• α: 90°
• β: 104.835 ± 0.005°
• γ: 90°
• Cell volume: 2107.11 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No