Information card for entry 2013670

Structure parameters

• Chemical name: catena-Poly[(μ-dihydrogen-1,2,4,5-benzenetetracarboxylato-1:2κ^2^O^1^:O^3^) (1,10-phenanthroline-κ^2^N,N')copper(II)]
• Formula: C22 H12 Cu N2 O8
• Calculated formula: C22 H12 Cu N2 O8
• SMILES: [Cu]1([n]2cccc3c2c2[n]1cccc2cc3)OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O[Cu]2([n]3cccc4c3c3[n]2cccc3cc4)OC(=O)c2cc(C(=O)O)c(cc2C(=O)O)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-(dihydrogen benzene-1,2,4,5-tetracarboxylato)-κ^2^<i>O</i>^1^:<i>O</i>^4^]
• Authors of publication: Hu, Mao-Lin; Xiao, Hong-Ping; Wang, Shun; Li, Xin-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m454 - m455
• a: 10.718 ± 0.005 Å
• b: 14.292 ± 0.007 Å
• c: 12.192 ± 0.006 Å
• α: 90°
• β: 101.119 ± 0.007°
• γ: 90°
• Cell volume: 1832.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes