Information card for entry 2241790

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridocadmium(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^]
• Formula: C18 H14 Cd Cl2 N4 O4
• Calculated formula: C18 H14 Cd Cl2 N4 O4
• SMILES: [Cd]12(Cl)(Cl)([n]3c(cccc3)c3[n]1c(C(=O)OC)c(C(=O)OC)[n]1c3c3[n](cccc3)[Cd]1(Cl)Cl)[n]1c(cccc1)c1[n]2c(C(=O)OC)c(C(=O)OC)nc1c1ncccc1
• Title of publication: Isotypic one-dimensional coordination polymers: <i>catena</i>-poly[[dichloridocadmium]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^] and <i>catena</i>-poly[[dichloridomercury(II)]-μ-5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylato-κ^2^<i>N</i>^5^:<i>N</i>^6^]
• Authors of publication: Alfonso, Montserrat; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1214 - 1218
• a: 7.8919 ± 0.0007 Å
• b: 10.5898 ± 0.0007 Å
• c: 12.0875 ± 0.0012 Å
• α: 90°
• β: 102.061 ± 0.011°
• γ: 90°
• Cell volume: 987.9 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes