Information card for entry 7051331

Structure parameters

• Formula: C4 H15 Br2 N3
• Calculated formula: C4 H15 Br2 N3
• SMILES: [Br-].[Br-].[NH3+]CCNCC[NH3+]
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• a: 11.6664 ± 0.001 Å
• b: 9.1552 ± 0.0005 Å
• c: 17.5536 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No