Information card for entry 7132555

Structure parameters

• Formula: C64 H88.54 B10 N6 O2 S2 Si2
• Calculated formula: C64 H88.544 B10 N6 O2 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: 11.741 ± 0.001 Å
• b: 17.4714 ± 0.0016 Å
• c: 18.7329 ± 0.0018 Å
• α: 112.618 ± 0.003°
• β: 101.299 ± 0.003°
• γ: 100.144 ± 0.003°
• Cell volume: 3341.5 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.2895
• Weighted residual factors for all reflections included in the refinement: 0.3058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No