Information card for entry 7132553

Structure parameters

• Formula: C48 H64 B10 F6 N6 O3 Si2
• Calculated formula: C48 H64 B10 F6 N6 O3 Si2
• SMILES: [Si]123(OC(=N\c4ccc(OC(F)(F)F)cc4)/N(c4ccc(OC(F)(F)F)cc4)C3=[Si]3([N](=C(N3C(C)(C)C)c3ccccc3)C(C)(C)C)[C]3456[C]7892[BH]2%103[BH]3%115[BH]5%12%13[BH]%14%15%16[BH]82([BH]%1035%15)[BH]27%16[BH]369[BH]%13%142[BH]4%11%123)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C
• 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: 14.118 ± 0.003 Å
• b: 18.777 ± 0.004 Å
• c: 20.911 ± 0.004 Å
• α: 90°
• β: 99.975 ± 0.007°
• γ: 90°
• Cell volume: 5460 ± 2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• 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: 0.1969
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No