Information card for entry 2204455

Structure parameters

• Chemical name: catena-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5- benzenetetracarboxylato]
• Formula: C34 H22 Co2 N4 O10
• Calculated formula: C34 H22 Co2 N4 O10
• SMILES: [Co]1([OH2])([n]2c3c4[n]1cccc4ccc3ccc2)OC(=O)c1c2C3=[O][Co]4(O3)([OH2])([n]3c5c(ccc3)ccc3ccc[n]4c35)OC(=O)c3c(C(=O)[O-])cc(C(=O)[O-])c(c3)C3=[O][Co]4(O3)([OH2])([n]3c5c(ccc3)ccc3ccc[n]4c35)OC(=O)c(c2)c(c1)C1=[O][Co]2(O1)([OH2])[n]1c3c(ccc1)ccc1ccc[n]2c31
• Title of publication: <i>catena</i>-Poly[bis[aqua(1,10-phenanthroline)cobalt(II)]-μ~4~-1,2,4,5-benzenetetracarboxylato]
• Authors of publication: Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1716 - m1718
• a: 7.542 ± 0.002 Å
• b: 21.22 ± 0.005 Å
• c: 9.478 ± 0.002 Å
• α: 90°
• β: 95.836 ± 0.004°
• γ: 90°
• Cell volume: 1509 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No