Information card for entry 4066499

Structure parameters

• Formula: C10 H16 N4 S2 Si
• Calculated formula: C10 H16 N4 S2 Si
• SMILES: [Si](n1c(=S)n(C)cc1)(n1c(=S)n(C)cc1)(C)C
• 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: 16.8497 ± 0.0003 Å
• b: 11.5975 ± 0.0002 Å
• c: 7.1424 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1395.73 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No