Information card for entry 1564417

Structure parameters

• Formula: C26 H22 Cu N4 O10
• Calculated formula: C26 H22 Cu N4 O10
• SMILES: [Cu]1(OC(=O)c2ccc(N(=O)=O)cc2)([n]2ccc(cc2)C[OH][Cu](OC(=O)c2ccc(N(=O)=O)cc2)(OC(=O)c2ccc(N(=O)=O)cc2)[n]2ccc(cc2)C[OH]1)(OC(=O)c1ccc(N(=O)=O)cc1)([n]1ccc(cc1)CO)[OH]Cc1ccncc1
• Title of publication: One dimensional carboxylatocopper(II) coordination polymers with 4-pyridylmethanol
• Authors of publication: Puchoňová, Miroslava; Maroszová, Jaroslava; Vasková, Zuzana; Mazúr, Milan; Valigura, Dušan; Koman, Marian; Moncol, Jan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119763
• a: 7.0351 ± 0.0004 Å
• b: 7.5386 ± 0.0004 Å
• c: 12.1405 ± 0.0007 Å
• α: 80.91 ± 0.005°
• β: 75.42 ± 0.004°
• γ: 82.98 ± 0.004°
• Cell volume: 613.01 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0547
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No