Information card for entry 2202258

Structure parameters

• Chemical name: Piperazinium hexaaquacobalt disulfate
• Formula: C4 H24 Co N2 O14 S2
• Calculated formula: C4 H24 Co N2 O14 S2
• SMILES: C1[NH2+]CC[NH2+]C1.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-]
• Title of publication: Piperazinium hexaaquacobalt(II) disulfate
• Authors of publication: Jian-Xin Pan; Guo-Yu Yang; Yan-Qiong Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m286 - m288
• a: 12.8796 ± 0.0006 Å
• b: 10.6984 ± 0.0006 Å
• c: 13.3098 ± 0.0007 Å
• α: 90°
• β: 114.118 ± 0.002°
• γ: 90°
• Cell volume: 1673.88 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes