Information card for entry 2239118

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)copper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
• Formula: C20 H18 Cu N2 O8
• Calculated formula: C20 H18 Cu N2 O8
• SMILES: [Cu](OC(=O)c1ccc(cc1)C=O)([OH2])(OC(=O)c1ccc(cc1)C=O)([OH2])([n]1cc[n](cc1)[Cu](OC(=O)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([OH2])[OH2])[n]1ccncc1
• Title of publication: <i>catena</i>-Poly[[diaquabis(4-formylbenzoato-κ<i>O</i>^1^)copper(II)]-μ-pyrazine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Çelik, Fatih; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: m4 - m5
• a: 21.7514 ± 0.0004 Å
• b: 6.8794 ± 0.0002 Å
• c: 12.9048 ± 0.0003 Å
• α: 90°
• β: 93.621 ± 0.003°
• γ: 90°
• Cell volume: 1927.18 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes