Information card for entry 2227904

Structure parameters

• Chemical name: Piperazine-1,4-diium bis(perchlorate) dihydrate
• Formula: C4 H16 Cl2 N2 O10
• Calculated formula: C4 H16 Cl2 N2 O10
• SMILES: C1C[NH2+]CC[NH2+]1.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Piperazine-1,4-diium bis(perchlorate) dihydrate
• Authors of publication: Peng, Cong-hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2214
• a: 7.2588 ± 0.0015 Å
• b: 6.5089 ± 0.0013 Å
• c: 14.543 ± 0.004 Å
• α: 90°
• β: 113.56 ± 0.03°
• γ: 90°
• Cell volume: 629.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0612
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes