Information card for entry 2012710

Structure parameters

• Chemical name: catena-poly-[[[(di-2-pyridyl-κN-amine)copper(II)]-μ-benzene-1,4- dicarboxylato-κ^4^O^1^,O^1'^,O^4^,O^4'^] hydrate]
• Formula: C18 H15 Cu N3 O5
• Calculated formula: C18 H15 Cu N3 O5
• SMILES: [Cu]12([n]4ccccc4Nc4[n]2cccc4)[O]=C(O1)c1ccc(cc1)C1=[O][Cu]23(O1)([O]=C(O2)c1ccc(cc1)C(=O)[O-])[n]1ccccc1Nc1[n]3cccc1.O.O
• 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: 9.009 ± 0.004 Å
• b: 9.289 ± 0.003 Å
• c: 11.171 ± 0.006 Å
• α: 99.11 ± 0.04°
• β: 106.64 ± 0.04°
• γ: 92.39 ± 0.03°
• Cell volume: 880.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes