Information card for entry 2203518

Structure parameters

• Formula: C4 H12 Br N5
• Calculated formula: C4 H12 Br N5
• SMILES: [Br-].CN(C)C(N=C(N)N)=[NH2+]
• Title of publication: <i>N,N</i>-Dimethylbiguanidium bromide
• Authors of publication: Lu, Liping; Zhang, Hongmei; Feng, Sisi; Zhu, Miaoli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o640 - o641
• a: 8.2094 ± 0.0018 Å
• b: 14.203 ± 0.003 Å
• c: 8.1261 ± 0.0018 Å
• α: 90°
• β: 114.807 ± 0.003°
• γ: 90°
• Cell volume: 860.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes