Information card for entry 2235182

Structure parameters

• Chemical name: Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate
• Formula: C18 H59 Cl8 N9 O9 S
• Calculated formula: C18 H54 Cl8 N9 O8.996 S
• Title of publication: Tris(<i>cis</i>-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate
• Authors of publication: Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1899 - o1900
• a: 12.6549 ± 0.0018 Å
• b: 12.6549 ± 0.0018 Å
• c: 43.616 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6049.1 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes