Information card for entry 4066504

Structure parameters

• Formula: C25 H28 N6 S3 Si
• Calculated formula: C25 H28 N6 S3 Si
• SMILES: [Si](n1c(=S)n(C)cc1)(n1c(=S)n(C)cc1)(n1c(=S)n(C)cc1)c1ccccc1.c1ccccc1C
• 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: 12.7358 ± 0.0002 Å
• b: 14.504 ± 0.0003 Å
• c: 14.6495 ± 0.0003 Å
• α: 90°
• β: 93.037 ± 0.001°
• γ: 90°
• Cell volume: 2702.26 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No