Information card for entry 2213317

Structure parameters

• Chemical name: 1,3-Dichloro-5-(dimethylamino)borazine
• Formula: C2 H9 B3 Cl2 N4
• Calculated formula: C2 H9 B3 Cl2 N4
• SMILES: B1(NB(NB(N1)Cl)N(C)C)Cl
• Title of publication: 1,3-Dichloro-5-(dimethylamino)borazine
• Authors of publication: Rodriguez, Mark A.; Borek, Theodore T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2638 - o2638
• a: 7.851 ± 0.003 Å
• b: 8.215 ± 0.003 Å
• c: 14.931 ± 0.005 Å
• α: 74.986 ± 0.007°
• β: 77 ± 0.006°
• γ: 88.773 ± 0.006°
• Cell volume: 905.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes