Information card for entry 2204609

Structure parameters

• Chemical name: Bis(μ-4-sulfobenzoato-κ^2^O:O')bis[aqua(2,2'-bipyridine-κ^2^N,N')copper(II)]
• Formula: C34 H28 Cu2 N4 O12 S2
• Calculated formula: C34 H28 Cu2 N4 O12 S2
• SMILES: c1cccc2[n]1[Cu]1(OC(=O)c3ccc(cc3)S(=O)(=O)O[Cu]3([n]4ccccc4c4[n]3cccc4)(OC(=O)c3ccc(cc3)S(=O)(=O)O1)[OH2])([n]1c2cccc1)[OH2]
• Title of publication: Bis(μ-4-sulfobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)]
• Authors of publication: Fan, Sai-Rong; Xiao, Hong-Ping; Zhang, Li-Ping; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1833 - m1835
• a: 8.9013 ± 0.0006 Å
• b: 10.2224 ± 0.0007 Å
• c: 10.4902 ± 0.0007 Å
• α: 92.306 ± 0.001°
• β: 112.334 ± 0.001°
• γ: 103.566 ± 0.001°
• Cell volume: 849.36 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No