Information card for entry 2216355

Structure parameters

• Chemical name: [(Amino)(5-amino-4-aminocarbonyl-1H-imidazol-3-ium-4-yl)methylene]oxonium 5-amino-4-aminocarbonyl-1H-imidazolium sulfate hydrogen sulfate
• Formula: C8 H16 N8 O10 S2
• Calculated formula: C8 H16 N8 O10 S2
• Title of publication: [(Amino)(5-amino-4-aminocarbonyl-1<i>H</i>-imidazol-3-ium-4-yl)methylene]oxonium 5-amino-4-aminocarbonyl-1<i>H</i>-imidazolium sulfate hydrogen sulfate
• Authors of publication: Lu-Ping Lv; Xiao-Jun Li; Wei-Wei Li; Wen-Bo Yu; Xian-Chao Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4662 - o4663
• a: 6.0731 ± 0.0016 Å
• b: 7.929 ± 0.003 Å
• c: 9.257 ± 0.003 Å
• α: 113.841 ± 0.006°
• β: 92.66 ± 0.005°
• γ: 92.22 ± 0.005°
• Cell volume: 406.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes