Information card for entry 2229854

Structure parameters

• Common name: Poly[<i>N,N'</i>-Bis(5-bromosalicylidene)-1,4-butanediamine copper(II)]
• Chemical name: <i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dibromo-2,2'-[butane-1,4- diylbis(nitrilomethanylylidene)]diphenolato- κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]
• Formula: C18 H16 Br2 Cu N2 O2
• Calculated formula: C18 H16 Br2 Cu N2 O2
• SMILES: [Cu]123Oc4ccc(Br)cc4C=[N]2CCCC[N]2[Cu]45(Oc6ccc(cc6C=2)Br)[O](c2ccc(cc2C=[N]4CCCC[N]3=Cc2c(ccc(c2)Br)O1)Br)[Cu]123[O]5c4ccc(Br)cc4C=[N]2CCCC[N]2[Cu]4(Oc5ccc(cc5C=2)Br)Oc2ccc(cc2C=[N]4CCCC[N]3=Cc2c(ccc(c2)Br)O1)Br
• Title of publication: <i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dibromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]
• Authors of publication: Kargar, Hadi; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m499 - m500
• a: 24.0964 ± 0.0009 Å
• b: 10.5885 ± 0.0003 Å
• c: 15.3528 ± 0.0005 Å
• α: 90°
• β: 117.354 ± 0.003°
• γ: 90°
• Cell volume: 3479.2 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes