Information card for entry 2201714

Structure parameters

• Chemical name: 1,4-Bis(2-ammonioethyl)piperazin-1,4-ium tetraperchlorate tetrahydrate
• Formula: C8 H32 Cl4 N4 O20
• Calculated formula: C8 H32 Cl4 N4 O20
• SMILES: C(C[NH+]1CC[NH+](CC[NH3+])CC1)[NH3+].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.O
• Title of publication: 1,4-Bis(2-ammonioethyl)piperazin-1,4-ium tetraperchlorate tetrahydrate
• Authors of publication: Ye, Ming-De; Hu, Mao-Lin; Zain, Sharifuddin M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o1008 - o1009
• a: 7.862 ± 0.001 Å
• b: 19.644 ± 0.003 Å
• c: 8.204 ± 0.001 Å
• α: 90°
• β: 103.53 ± 0.01°
• γ: 90°
• Cell volume: 1231.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes