Information card for entry 2229815

Structure parameters

• Chemical name: Bis[(2<i>S</i>,4<i>S</i>)-4-(2-hydroxyethyl)-2-methylpiperazine-1,4-diium] di-μ-chlorido-bis[trichloridocadmium(II)]
• Formula: C14 H36 Cd2 Cl8 N4 O2
• Calculated formula: C14 H36 Cd2 Cl8 N4 O2
• SMILES: C1[NH2+]C(C)C[NH+](CCO)C1.[Cd]1(Cl)(Cl)([Cl][Cd](Cl)(Cl)(Cl)[Cl]1)Cl.C(C[NH+]1CC[NH2+]C(C1)C)O
• Title of publication: Bis[(2<i>S</i>,4<i>S</i>)-4-(2-hydroxyethyl)-2-methylpiperazine-1,4-diium] di-μ-chlorido-bis[trichloridocadmium(II)]
• Authors of publication: Rong, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m396
• a: 8.0318 ± 0.0016 Å
• b: 11.144 ± 0.002 Å
• c: 15.816 ± 0.003 Å
• α: 90°
• β: 97.81 ± 0.03°
• γ: 90°
• Cell volume: 1402.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes