Information card for entry 2213128

Structure parameters

• Chemical name: Bis{2-[(E)-(3,5-dibromo-2-oxidophenyl)methyleneamino]ethanesulfonato- κ^3^N,O.O':O''}bis[methanolcopper(II)]
• Formula: C20 H22 Br4 Cu2 N2 O10 S2
• Calculated formula: C20 H22 Br4 Cu2 N2 O10 S2
• SMILES: Brc1c2O[Cu]34([N](=Cc2cc(c1)Br)CCS(=[O][Cu]12(Oc5c(cc(cc5C=[N]1CCS(=[O]4)(=O)O2)Br)Br)[OH]C)(=O)O3)[OH]C
• Title of publication: Bis{μ-2-[(<i>E</i>)-(3,5-dibromo-2-oxidophenyl)methyleneamino]ethanesulfonato-κ^3^<i>N</i>,<i>O,O</i>':κ<i>O</i>''}bis[methanolcopper(II)]
• Authors of publication: Chen, Xian-Ming; Zhang, Shu-Hua; Yang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1317 - m1318
• a: 5.28 ± 0.001 Å
• b: 9.374 ± 0.002 Å
• c: 14.785 ± 0.003 Å
• α: 87.97 ± 0.03°
• β: 88.26 ± 0.03°
• γ: 74.02 ± 0.03°
• Cell volume: 702.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes