Information card for entry 2210126

Structure parameters

• Chemical name: <i>catena</i>-Poly{hemi[diaquacopper(II)]hemi[bis(<i>N</i>,<i>N</i>-\ dimethylformide-κ<i>O</i>)copper(II)][tris(salicylato-κ^2^<i>O</i>,\ <i>O</i>')titanate(IV)]}
• Formula: C24 H21 Cu N O11 Ti
• Calculated formula: C24 H21 Cu N O11 Ti
• SMILES: [Ti]123(Oc4ccccc4C(=[O]1)O[Cu]([OH2])(OC1=[O][Ti]45(Oc6ccccc16)(Oc1ccccc1C(=[O]4)O[Cu]([O]=CN(C)C)[O]=CN(C)C)Oc1ccccc1C(=O)O5)[OH2])(Oc1ccccc1C(=[O]2)O[Cu]([O]=CN(C)C)(OC1=[O][Ti]24(Oc5ccccc5C(=[O]2)O[Cu]([OH2])([OH2])OC2=[O][Ti]56(Oc7ccccc27)(Oc2ccccc2C(O5)=O)Oc2ccccc2C(=O)O6)(Oc2ccccc12)Oc1ccccc1C(=O)O4)[O]=CN(C)C)Oc1ccccc1C(=O)O3
• Title of publication: <i>catena</i>-Poly[hemi[diaquacopper(II)]-μ-salicylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''-[(salicylato-κ^2^<i>O</i>,<i>O</i>')titanate(IV)]-μ-salicylato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>''-hemi[bis(<i>N</i>,<i>N</i>-dimethylformide-κ<i>O</i>)copper(II)]]
• Authors of publication: Yang, Jun-Ying; Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2307 - m2309
• a: 9.629 ± 0.001 Å
• b: 9.915 ± 0.001 Å
• c: 14.558 ± 0.002 Å
• α: 70.783 ± 0.002°
• β: 85.346 ± 0.002°
• γ: 69.579 ± 0.002°
• Cell volume: 1229.1 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.13
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes