Information card for entry 2219348

Structure parameters

• Chemical name: catena-Poly[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^N^8^,N^9^) cobalt(II)]-μ-pyrazine-2,3-dicarboxylato-κ^3^N^1^O^2^:O^3^]
• Formula: C20 H12 Co N6 O5
• Calculated formula: C20 H12 Co N6 O5
• SMILES: [Co]12([n]3cccc4c5c(c6ccc[n]1c6c34)nccn5)([n]1c(c(C(=O)[O-])ncc1)C(=O)O2)([OH2])OC(=O)c1c2C(=O)O[Co]3([n]4cccc5c6c(c7ccc[n]3c7c45)nccn6)([n]2ccn1)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^8^,<i>N</i>^9^)cobalt(II)]-μ-pyrazine-2,3-dicarboxylato-κ^3^<i>N</i>^1^<i>O</i>^2^:<i>O</i>^3^]
• Authors of publication: Xu, Zhan-Lin; Li, Xiu-Ying; Che, Guang-Bo; Lu, Lu; Xu, Chun-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1215 - m1216
• a: 6.843 ± 0.0014 Å
• b: 7.4455 ± 0.0015 Å
• c: 17.454 ± 0.004 Å
• α: 93.64 ± 0.03°
• β: 95.99 ± 0.03°
• γ: 97.61 ± 0.03°
• Cell volume: 873.9 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1698
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes