Information card for entry 8104596

Structure parameters

• Chemical name: all-<i>cis</i> -2,4,6-trihydroxycyclohexane-1,3,5-triaminium chloride sulfate
• Formula: C6 H18 Cl N3 O7 S
• Calculated formula: C6 H18 Cl N3 O7 S
• Title of publication: Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S
• Authors of publication: Velcheva, Vyara; Hegetschweiler, Kaspar; Gencheva, Galina
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1319 - 1321
• a: 8.399 ± 0.0014 Å
• b: 8.399 ± 0.0014 Å
• c: 9.6208 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 587.76 ± 0.17 ų
• Cell temperature: 300.15 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No