Information card for entry 2238547

Structure parameters

• Chemical name: 1-(2,3-Dimethylphenyl)piperazine-1,4-diium tetrachloridocuprate(II)
• Formula: C12 H20 Cl4 Cu N2
• Calculated formula: C12 H20 Cl4 Cu N2
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[NH+]1(c2c(c(ccc2)C)C)CC[NH2+]CC1
• Title of publication: 1-(2,3-Dimethylphenyl)piperazine-1,4-diium tetrachloridocuprate(II)
• Authors of publication: Ben Mabrouk, Safa; Ameur, Iness; Abid, Sonia; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m485
• a: 7.1986 ± 0.0015 Å
• b: 7.7611 ± 0.0011 Å
• c: 15.635 ± 0.004 Å
• α: 77.035 ± 0.016°
• β: 79.311 ± 0.019°
• γ: 81.845 ± 0.014°
• Cell volume: 831.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes