Information card for entry 4066500

Structure parameters

• Formula: C9 H14 N4 S2 Si
• Calculated formula: C9 H14 N4 S2 Si
• SMILES: S=C1N([SiH](N2C(=S)N(C)C=C2)C)C=CN1C
• Title of publication: Poly(methimazolyl)silanes: Syntheses and Molecular Structures†
• Authors of publication: Wagler, Jörg; Heine, Thomas; Hill, Anthony F.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5607
• a: 7.4489 ± 0.0002 Å
• b: 19.7998 ± 0.0008 Å
• c: 8.7347 ± 0.0003 Å
• α: 90°
• β: 100.361 ± 0.002°
• γ: 90°
• Cell volume: 1267.25 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No