Information card for entry 1514813

Structure parameters

• Formula: C5 H10 Cl4 N2 Si
• Calculated formula: C5 H10 Cl4 N2 Si
• SMILES: [Si](Cl)(Cl)(Cl)(Cl)=C1N(CCN1C)C
• Title of publication: (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
• Authors of publication: Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 77
• a: 12.8424 ± 0.0006 Å
• b: 12.65 ± 0.0006 Å
• c: 13.2356 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2150.21 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No