Information card for entry 7051334

Structure parameters

• Formula: C4 H16 Br3 N3
• Calculated formula: C4 H16 Br3 N3
• SMILES: [Br-].[Br-].[Br-].[NH3+]CC[NH2+]CC[NH3+]
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• a: 6.2094 ± 0.0012 Å
• b: 19.674 ± 0.004 Å
• c: 9.0026 ± 0.0018 Å
• α: 90°
• β: 93.39 ± 0.03°
• γ: 90°
• Cell volume: 1097.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No