Information card for entry 2016148

Structure parameters

• Chemical name: catena-poly[cadmium(II)]-bis(μ-6-methylpicolinato)]
• Formula: C14 H12 Cd N2 O4
• Calculated formula: C14 H12 Cd N2 O4
• SMILES: [Cd]123([n]4c(cccc4C)C(=O)O2)[n]2c(cccc2C)C(=O)[O]1[Cd]124([n]5c(cccc5C)C(=O)[O]31)[n]1c(cccc1C)C(=O)[O]4[Cd]13([n]4c(cccc4C)C(=O)[O]12)[n]1c(cccc1C)C(=O)O3
• Title of publication: A one-dimensional Cd^II^ coordination polymer: <i>catena</i>-poly[cadmium(II)-bis(μ-6-methylpicolinato)]
• Authors of publication: Kukovec, Boris-Marko; Popović, Zora; Pavlović, Gordana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m389 - m391
• a: 6.8284 ± 0.0001 Å
• b: 10.6888 ± 0.0002 Å
• c: 18.5505 ± 0.0003 Å
• α: 90°
• β: 94.305 ± 0.001°
• γ: 90°
• Cell volume: 1350.13 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes