Information card for entry 2205222

Structure parameters

• Chemical name: Trimethylenetetraaminium(4+) bis(sulfate) monohydrate
• Formula: C6 H24 N4 O9 S2
• Calculated formula: C6 H24 N4 O9 S2
• Title of publication: Triethylenetetraminium(4+) bis(sulfate) monohydrate
• Authors of publication: Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o774 - o775
• a: 6.3192 ± 0.0008 Å
• b: 22.253 ± 0.003 Å
• c: 5.4903 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 772.05 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No