Information card for entry 2012374

Structure parameters

• Chemical name: catena-Poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-O,N^1^:N^4^]
• Formula: C5 H5 Cl Cu N2 O3
• Calculated formula: C5 H5 Cl Cu N2 O3
• SMILES: [Cu]1(Cl)([n]2c(cncc2)C(=O)O1)([OH2])[n]1cc2C(=O)O[Cu](Cl)([OH2])[n]2cc1
• Title of publication: A new packing variant of <i>catena</i>-poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-<i>O</i>,<i>N</i>:<i>N</i>']
• Authors of publication: Nordell, Karen J.; Kass, Dana S.; Smith, Mark D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1376 - 1377
• a: 18.8435 ± 0.0017 Å
• b: 6.2038 ± 0.0006 Å
• c: 13.4129 ± 0.0012 Å
• α: 90°
• β: 105.534 ± 0.002°
• γ: 90°
• Cell volume: 1510.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes