Information card for entry 2216154

Structure parameters

• Chemical name: 2,4,6-Trichloro-1,3,5-trimethylborazine
• Formula: C3 H9 B3 Cl3 N3
• Calculated formula: C3 H9 B3 Cl3 N3
• SMILES: ClB1N(B(N(B(N1C)Cl)C)Cl)C
• Title of publication: 2,4,6-Trichloro-1,3,5-trimethylborazine
• Authors of publication: Weinmann, Markus; Nuss, Jürgen; Jansen, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4235 - o4235
• a: 7.72 ± 0.004 Å
• b: 9.167 ± 0.005 Å
• c: 15.054 ± 0.008 Å
• α: 90.446 ± 0.012°
• β: 91.727 ± 0.012°
• γ: 114.38 ± 0.01°
• Cell volume: 969.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes