Information card for entry 2205221

Structure parameters

• Chemical name: Bis[diethylenetriaminium(3+)] tris(sulfate) monohydrate
• Formula: C8 H34 N6 O13 S3
• Calculated formula: C8 H34 N6 O13 S3
• Title of publication: Bis[diethylenetriaminium(3+)] tris(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: o772 - o773
• a: 10.249 ± 0.001 Å
• b: 13.648 ± 0.001 Å
• c: 16.082 ± 0.002 Å
• α: 90°
• β: 102.045 ± 0.002°
• γ: 90°
• Cell volume: 2200 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes