Information card for entry 2211869

Structure parameters

• Chemical name: catena-Poly[[[diaquazinc(II)]-bis[μ-2-(2,4-difluorophenyl)-1,3- bis(1,2,4-triazol-1-yl)propan-2-ol)-κ^2^N^4^:N^4^]] perchlorate]
• Formula: C26 H28 Cl2 F4 N12 O12 Zn
• Calculated formula: C26 H28 Cl2 F4 N12 O12 Zn
• SMILES: [Zn]1([OH2])([OH2])([n]2cn(nc2)CC(O)(c2ccc(F)cc2F)Cn2nc[n](c2)[Zn]([OH2])([OH2])[n]2cn(nc2)CC(O)(Cn2nc[n]1c2)c1ccc(F)cc1F)([n]1cn(nc1)CC(O)(c1ccc(F)cc1F)Cn1ncnc1)[n]1cn(nc1)CC(O)(c1ccc(F)cc1F)Cn1ncnc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[diaquazinc(II)]-bis[μ-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4^]] bis(perchlorate)]
• Authors of publication: Yun Ling; Lei Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m4 - m6
• a: 7.9134 ± 0.0017 Å
• b: 9.986 ± 0.002 Å
• c: 11.494 ± 0.003 Å
• α: 90.194 ± 0.003°
• β: 94.07 ± 0.003°
• γ: 111.031 ± 0.003°
• Cell volume: 845.2 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes