Information card for entry 7012889

Structure parameters

• Common name: triethynylborazine
• Formula: C6 H6 B3 N3
• Calculated formula: C6 H6 B3 N3
• SMILES: N1B(NB(NB1C#C)C#C)C#C
• 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: 22.792 ± 0.003 Å
• b: 3.9345 ± 0.0005 Å
• c: 23.671 ± 0.003 Å
• α: 90°
• β: 116.641 ± 0.002°
• γ: 90°
• Cell volume: 1897.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No