Information card for entry 2218291

Structure parameters

• Chemical name: Poly[(μ-3,5-dinitro-2-oxidobenzoato)(μ-3-hydroxypyridine)copper(II)]
• Formula: C12 H7 Cu N3 O8
• Calculated formula: C12 H7 Cu N3 O8
• SMILES: [Cu]1(Oc2c(cc(cc2N(=O)=O)N(=O)=O)C(=O)O1)([n]1cc(ccc1)O)[O]=C1O[Cu](Oc2c1cc(cc2N(=O)=O)N(=O)=O)[n]1cc(ccc1)O
• Title of publication: Poly[(μ-3,5-dinitro-2-oxidobenzoato)(μ-3-hydroxypyridine)copper(II)]
• Authors of publication: Yan, Jian-Bin; Song, Wen-Dong; Wang, Hao; Ji, Li-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m651 - m652
• a: 8.1055 ± 0.0003 Å
• b: 6.2208 ± 0.0002 Å
• c: 26.9837 ± 0.0009 Å
• α: 90°
• β: 94.03 ± 0.003°
• γ: 90°
• Cell volume: 1357.23 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes