Information card for entry 2017131

Structure parameters

• Common name: Streptidinium sulfate monohydrate
• Chemical name: {[(1<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)-2,4,5,6-tetrahydroxycyclohexane- 1,3-diyl]diimino}bis(aminomethaniminium) sulfate monohydrate
• Formula: C8 H22 N6 O9 S
• Calculated formula: C8 H22 N6 O9 S
• Title of publication: Streptidinium sulfate monohydrate
• Authors of publication: Leśniewska, Barbara; Jebors, Said; Coleman, Anthony W.; Suwińska, Kinga
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o290 - o292
• a: 9.1105 ± 0.0005 Å
• b: 9.1105 ± 0.0005 Å
• c: 16.2506 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1168.11 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes