Information card for entry 2231749

Structure parameters

• Chemical name: 4-(2-Azaniumylethyl)piperazin-1-ium bis(perchlorate)
• Formula: C6 H17 Cl2 N3 O8
• Calculated formula: C6 H17 Cl2 N3 O8
• SMILES: [NH2+]1CCN(CC1)CC[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: 4-(2-Azaniumylethyl)piperazin-1-ium bis(perchlorate)
• Authors of publication: Reisi, Mohammad Reza; Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2400
• a: 7.5218 ± 0.0001 Å
• b: 11.4371 ± 0.0002 Å
• c: 15.2239 ± 0.0002 Å
• α: 90°
• β: 97.437 ± 0.001°
• γ: 90°
• Cell volume: 1298.66 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes