Information card for entry 7202741

Structure parameters

• Formula: C12 H8 Cu N2 O6
• Calculated formula: C12 H8 Cu N2 O6
• SMILES: O1C(=O)c2ccccn2=[O][Cu]21[O]=n1ccccc1C(=O)O2
• Title of publication: Hydro(solvo)thermal synthesis, structures, luminescence of 2-D zinc(ii) and 1-D copper(ii) complexes constructed from pyridine-2,6-dicarboxylic acid N-oxide and decarboxylation of the ligand
• Authors of publication: Wu, Wei-Ping; Wang, Yao-Yu; Wu, Ya-Pan; Liu, Jian-Qiang; Zeng, Xi-Rui; Shi, Qi-Zhen; Peng, Shie-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 753
• a: 3.39 ± 0.0007 Å
• b: 12.59 ± 0.003 Å
• c: 12.17 ± 0.002 Å
• α: 90°
• β: 94.18 ± 0.03°
• γ: 90°
• Cell volume: 518.04 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No