Information card for entry 2204430

Structure parameters

• Chemical name: catena-Poly[[(1,10-phenanthroline-κ^2^N,N')cadmium(II)]-μ- imidazole-4,5-dicarboxylato-κ^4^N,O:N,O']
• Formula: C17 H10 Cd N4 O4
• Calculated formula: C17 H10 Cd N4 O4
• SMILES: [Cd]123([n]4cccc5ccc6ccc[n]1c6c45)(n1cnc(c1C(=O)O2)C(=O)O)[n]1cn2[Cd]4([n]5cccc6ccc7ccc[n]4c7c56)OC(=O)c2c1C(O)=[O]3
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N,N</i>')cadmium(II)]-μ-imidazole-4,5-dicarboxylato-κ^4^<i>N,O:N,O</i>']
• Authors of publication: Gao, Shan; Gu, Chang-Sheng; Huo, Li-Hua; Zhao, Hui; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1672 - m1674
• a: 10.644 ± 0.002 Å
• b: 10.415 ± 0.002 Å
• c: 13.736 ± 0.003 Å
• α: 90°
• β: 91.07 ± 0.03°
• γ: 90°
• Cell volume: 1522.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0221
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes