Information card for entry 2226302

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquacopper(II)]-μ-2,2'-{[<i>p</i>- phenylenebis(oxymethylene)]bis(pyridinium-3,1-diyl)}diacetate] dibromide]
• Formula: C22 H24 Br2 Cu N2 O8
• Calculated formula: C22 H24 Br2 Cu N2 O8
• SMILES: [Cu](OC(=O)C[n+]1cccc(c1)COc1ccc(OCc2ccc[n+](CC(=O)O[Cu]([OH2])[OH2])c2)cc1)([OH2])(OC(=O)C[n+]1cccc(c1)COc1ccc(OCc2ccc[n+](CC(=O)[O-])c2)cc1)[OH2].[Br-].[Br-].[Br-].[Br-]
• Title of publication: <i>catena</i>-Poly[[[diaquacopper(II)]-μ-2,2'-{[<i>p</i>-phenylenebis(oxymethylene)]bis(pyridinium-3,1-diyl)}diacetate] dibromide]
• Authors of publication: Pan, Wei-Cheng; Lian, Hong-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m607
• a: 7.5422 ± 0.0007 Å
• b: 9.3001 ± 0.0008 Å
• c: 9.989 ± 0.0009 Å
• α: 64.194 ± 0.002°
• β: 79.405 ± 0.002°
• γ: 77 ± 0.002°
• Cell volume: 611.66 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes