Information card for entry 2241624

Structure parameters

• Chemical name: <i>trans</i>-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate
• Formula: C6 H20 Cl2 N2 O10
• Calculated formula: C6 H20 Cl2 N2 O10
• SMILES: C1[NH2+][C@@H](C)C[NH2+][C@@H]1C.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
• Title of publication: <i>trans</i>-2,5-Dimethylpiperazine-1,4-diium bis(perchlorate) dihydrate: crystal structure and Hirshfeld surface analysis
• Authors of publication: Ben Mleh, Cherifa; Roisnel, Thierry; Marouani, Houda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 593 - 596
• a: 16.8603 ± 0.0008 Å
• b: 7.2655 ± 0.0003 Å
• c: 14.4534 ± 0.0006 Å
• α: 90°
• β: 128.751 ± 0.001°
• γ: 90°
• Cell volume: 1380.78 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes