Information card for entry 2012664

Structure parameters

• Chemical name: catena-Poly[[[diaquabis(5-chloropyridinium-2-olato-κO)copper(II)]-μ-pyrazine- κ^2^N:N'] diperchlorate]
• Formula: C14 H16 Cl4 Cu N4 O12
• Calculated formula: C14 H16 Cl4 Cu N4 O12
• SMILES: [Cu]([OH2])([O]=c1[nH]cc(Cl)cc1)([O]=c1[nH]cc(Cl)cc1)([OH2])[n]1cc[n](cc1)[Cu]([O]=c1[nH]cc(Cl)cc1)([O]=c1[nH]cc(Cl)cc1)([OH2])([OH2])[n]1ccncc1.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[[[diaquabis(5-chloropyridinium-2-olato-κ<i>O</i>)copper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>'] diperchlorate]
• Authors of publication: Yuan, Ji-Xin; Hu, Mao-Lin; Cheng, Ya-Qian; Chen, Li-Chun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m270 - m272
• a: 22.247 ± 0.008 Å
• b: 6.888 ± 0.002 Å
• c: 15.211 ± 0.004 Å
• α: 90°
• β: 93.07 ± 0.01°
• γ: 90°
• Cell volume: 2327.5 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes