Information card for entry 2202642

Structure parameters

• Formula: C6 H21 Br3 N4
• Calculated formula: C6 H21 Br3 N4
• SMILES: C(CN(CC[NH3+])CC[NH3+])[NH3+].[Br-].[Br-].[Br-]
• Title of publication: Tris(2-ammonioethyl)amine tribromide
• Authors of publication: W. G. Piyal Ariyananda; Richard E. Norman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1601 - o1603
• a: 11.038 ± 0.002 Å
• b: 11.038 ± 0.002 Å
• c: 11.038 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1344.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes