Information card for entry 2227922

Structure parameters

• Chemical name: 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)
• Formula: C10 H18 N2 O8 S2
• Calculated formula: C10 H18 N2 O8 S2
• SMILES: S(=O)(=O)([O-])O.S(=O)(=O)(O)[O-].[NH+]1(CC[NH2+]CC1)c1ccccc1
• Title of publication: 1-Phenylpiperazine-1,4-diium bis(hydrogen sulfate)
• Authors of publication: Marouani, Houda; Rzaigui, Mohamed; Al-Deyab, Salem S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2613
• a: 17.535 ± 0.006 Å
• b: 10.996 ± 0.002 Å
• c: 7.631 ± 0.002 Å
• α: 90°
• β: 99.86 ± 0.02°
• γ: 90°
• Cell volume: 1449.6 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes