Information card for entry 7012891

Structure parameters

• Common name: B-tris(E-trichlorosilylvinyl)borazine
• Formula: C6 H9 B3 Cl9 N3 Si3
• Calculated formula: C6 H9 B3 Cl9 N3 Si3
• SMILES: Cl[Si](Cl)(Cl)/C=C/B1NB(NB(N1)/C=C/[Si](Cl)(Cl)Cl)/C=C/[Si](Cl)(Cl)Cl
• Title of publication: Functionalized borazines as precursors for new silica gels
• Authors of publication: Jörg Haberecht; Anja Krummland; Frank Breher; Björn Gebhardt; Heinz Rüegger; Reinhard Nesper; Hansjörg Grützmacher
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2126 - 2132
• a: 13.2678 ± 0.0016 Å
• b: 11.1725 ± 0.0013 Å
• c: 15.6744 ± 0.0017 Å
• α: 90°
• β: 92.25 ± 0.004°
• γ: 90°
• Cell volume: 2321.7 ± 0.5 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No