Information card for entry 1564416

Structure parameters

• Formula: C26 H22 Cu N4 O10
• Calculated formula: C26 H22 Cu N4 O10
• SMILES: [Cu]1(OC(=O)c2cc(N(=O)=O)ccc2)([n]2ccc(cc2)C[OH][Cu](OC(=O)c2cc(N(=O)=O)ccc2)(OC(=O)c2cc(N(=O)=O)ccc2)[n]2ccc(cc2)C[OH]1)(OC(=O)c1cc(N(=O)=O)ccc1)([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: 7.5681 ± 0.0005 Å
• b: 9.195 ± 0.0006 Å
• c: 9.8055 ± 0.0006 Å
• α: 86.543 ± 0.005°
• β: 87.753 ± 0.005°
• γ: 65.686 ± 0.005°
• Cell volume: 620.62 ± 0.07 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: 0.0265
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No