Information card for entry 2229853

Structure parameters

• Common name: Poly[[μ-<i>N</i>,<i>N</i>'-Bis(5-chlorosalicylidene)- 1,4-butanediamine]copper(II)]
• Chemical name: <i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dichloro-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 Cl2 Cu N2 O2
• Calculated formula: C18 H16 Cl2 Cu N2 O2
• SMILES: [Cu]123Oc4ccc(Cl)cc4C=[N]2CCCC[N]2[Cu]45(Oc6ccc(cc6C=2)Cl)[O](c2ccc(cc2C=[N]4CCCC[N]3=Cc2c(ccc(c2)Cl)O1)Cl)[Cu]123[O]5c4ccc(Cl)cc4C=[N]2CCCC[N]2[Cu]4(Oc5ccc(cc5C=2)Cl)Oc2ccc(cc2C=[N]4CCCC[N]3=Cc2c(ccc(c2)Cl)O1)Cl
• Title of publication: <i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dichloro-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: m497 - m498
• a: 23.7249 ± 0.0005 Å
• b: 10.5067 ± 0.0002 Å
• c: 15.246 ± 0.0003 Å
• α: 90°
• β: 116.988 ± 0.001°
• γ: 90°
• Cell volume: 3386.52 ± 0.12 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: 0.0651
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes