Information card for entry 2020253

Structure parameters

• Chemical name: <i>catena</i>-Poly[[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis[μ~2~-4-(dimethylamino)pyridin-1-ium-1-acetate]-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>]
• Formula: C9 H12 Cd Cl2 N2 O2
• Calculated formula: C9 H12 Cd Cl2 N2 O2
• SMILES: [Cd]123(Cl)([Cl][Cd]45(Cl)([Cl]1)[O]([Cd]1([O]4C(C[n+]4ccc(N(C)C)cc4)=[O]1)(Cl)Cl)C(C[n+]1ccc(N(C)C)cc1)=[O]5)[O]=C(C[n+]1ccc(N(C)C)cc1)[O]2[Cd]1(Cl)(Cl)[O]=C(C[n+]2ccc(N(C)C)cc2)[O]31
• Title of publication: Two different one-dimensional Cd^II^ halide coordination polymers constructed through bridging carboxylate ligands
• Authors of publication: Hou, Xue-Li; Wang, Hui-Ting
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 10.273 ± 0.002 Å
• b: 15.081 ± 0.003 Å
• c: 7.7654 ± 0.0016 Å
• α: 90°
• β: 93.06 ± 0.03°
• γ: 90°
• Cell volume: 1201.4 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes