Information card for entry 2012709

Structure parameters

• Chemical name: catena-poly-[[aqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]-μ-benzene- 1,4-dicarboxylato-κ^2^O^1^,O^4^]
• Formula: C20 H14 Co N2 O5
• Calculated formula: C20 H14 Co N2 O5
• SMILES: [Co]1([OH2])([n]2cccc3ccc4ccc[n]1c4c23)OC(=O)c1ccc(cc1)C(=O)O[Co]1([OH2])(OC(=O)c2ccc(cc2)C(=O)[O-])[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Comparison of two polymeric transition metal complexes with 1,4-benzenedicarboxylate ions as bridging ligands, [Co(C~8~H~4~O~4~)(C~12~H~8~N~2~)(H~2~O)] and [Cu(C~8~H~4~O~4~)(C~10~H~9~N~3~)]·H~2~O
• Authors of publication: Karanović, Ljiljana; Poleti, Dejan; Rogan, Jelena; Bogdanović, Goran A.; Spasojević-de Biré, Anne
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m275 - m279
• a: 9.2688 ± 0.0017 Å
• b: 10.455 ± 0.0018 Å
• c: 11.349 ± 0.002 Å
• α: 112.462 ± 0.003°
• β: 94.924 ± 0.002°
• γ: 113.908 ± 0.002°
• Cell volume: 890.6 ± 0.3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.077
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes