Information card for entry 1508386

Structure parameters

• Common name: aminonitroguanidinium bromide monohydrate
• Chemical name: aminonitroguanidinium bromide monohydrate
• Formula: C H8 Br N5 O3
• Calculated formula: C H8 Br N5 O3
• SMILES: O=N(=O)/N=C(N[NH3+])\N.[Br-].O
• Title of publication: Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives
• Authors of publication: Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 675 - 689
• a: 8.0261 ± 0.0005 Å
• b: 12.7412 ± 0.0007 Å
• c: 7.9296 ± 0.0005 Å
• α: 90°
• β: 118.051 ± 0.009°
• γ: 90°
• Cell volume: 715.64 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No