Information card for entry 7132552

Structure parameters

• Formula: C44 H68 B10 N4 S2 Si2
• Calculated formula: C44 H68 B10 N4 S2 Si2
• Title of publication: Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.
• Authors of publication: Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 1148 - 1151
• a: 13.3084 ± 0.0013 Å
• b: 13.6054 ± 0.0013 Å
• c: 16.2398 ± 0.0016 Å
• α: 76.297 ± 0.004°
• β: 82.378 ± 0.004°
• γ: 61.662 ± 0.003°
• Cell volume: 2513.7 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No