Information card for entry 2209896

Structure parameters

• Common name: Hexamethylenetetraminium 2,4-dinitrobenzoate monohydrate
• Chemical name: Hexamethylenetetraminium 2,4-dinitrobenzoate monohydrate
• Formula: C13 H18 N6 O7
• Calculated formula: C13 H18 N6 O7
• Title of publication: Hexamethylenetetraminium 2,4-dinitrobenzoate monohydrate
• Authors of publication: Mohd Mustaqim Rosli; Hoong-Kun Fun; Beck Sim Lee; Pumsak Ruanwas; Suchada Chantrapromma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3296 - o3298
• a: 6.4118 ± 0.0001 Å
• b: 9.1042 ± 0.0002 Å
• c: 14.1521 ± 0.0002 Å
• α: 77.986 ± 0.001°
• β: 80.464 ± 0.001°
• γ: 85.585 ± 0.001°
• Cell volume: 796.09 ± 0.02 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes