Information card for entry 2019470

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]
• Formula: C5 H14 Cd Cl4 N2
• Calculated formula: C5 H14 Cd Cl4 N2
• SMILES: [Cd]1(Cl)(Cl)(Cl)[Cl]2[Cd](Cl)(Cl)(Cl)([Cl]1)[Cl]1[Cd]2(Cl)(Cl)(Cl)[Cl][Cd]1(Cl)(Cl)Cl.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C.[C@@H]1(C[NH2+]CC[NH2+]1)C
• Title of publication: A one-dimensional ladder-like six-coordinate cadmium polymer: <i>catena</i>-poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]
• Authors of publication: Wu, De-Hong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: 445 - 448
• a: 13.342 ± 0.007 Å
• b: 5.853 ± 0.003 Å
• c: 15.404 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1202.9 ± 1.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes