Information card for entry 2205474

Structure parameters

• Common name: piperazinediium hexaaquazinc(II) bis(sulfate)
• Chemical name: Piperazinediium hexaaquazinc(II) bis(sulfate)
• Formula: C4 H24 N2 O14 S2 Zn
• Calculated formula: C4 H24 N2 O14 S2 Zn
• SMILES: C1C[NH2+]CC[NH2+]1.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Piperazinediium hexaaquazinc(II) bis(sulfate): a structural analogue of Tutton's salts
• Authors of publication: Rekik, Walid; Naïli, Houcine; Mhiri, Tahar; Bataille, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m629 - m631
• a: 12.9562 ± 0.0002 Å
• b: 10.6502 ± 0.0002 Å
• c: 13.3251 ± 0.0002 Å
• α: 90°
• β: 114.032 ± 0.001°
• γ: 90°
• Cell volume: 1679.3 ± 0.05 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes