Information card for entry 2203580

Structure parameters

• Chemical name: bis(hydrogen pyrazine-2,3-dicarboxylate)copper(II) N,N'-dimethylformamide disolvate
• Formula: C18 H20 Cu N6 O10
• Calculated formula: C18 H20 Cu N6 O10
• SMILES: CN(C=O)C.[Cu]12([n]3c(C(=O)O1)c(C(=O)O)ncc3)[n]1c(C(=O)O2)c(C(=O)O)ncc1.CN(C)C=O
• Title of publication: Polymeric bis(hydrogen pyrazine-2,3-dicarboxylato)copper(II) <i>N</i>,<i>N</i>'-dimethylformamide disolvate
• Authors of publication: Guang-Qi Xiang; Nan-Wen Zhu; Mao-Lin Hu; Hong-Ping Xiao; Xiao-Xia Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m647 - m649
• a: 6.289 ± 0.002 Å
• b: 7.679 ± 0.003 Å
• c: 12.686 ± 0.005 Å
• α: 76.147 ± 0.007°
• β: 88.002 ± 0.007°
• γ: 70.902 ± 0.007°
• Cell volume: 561.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2619
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes