Information card for entry 1564415

Structure parameters

• Formula: C28 H28 Cu N2 O8
• Calculated formula: C28 H28 Cu N2 O8
• SMILES: [Cu]1(OC(=O)c2c(O)ccc(c2)C)([n]2ccc(cc2)C[OH][Cu](OC(=O)c2c(O)ccc(c2)C)(OC(=O)c2c(O)ccc(c2)C)[n]2ccc(cc2)C[OH]1)(OC(=O)c1c(O)ccc(c1)C)([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: 7.6091 ± 0.0003 Å
• b: 7.6248 ± 0.0003 Å
• c: 11.5732 ± 0.0004 Å
• α: 80.6 ± 0.003°
• β: 77.646 ± 0.003°
• γ: 89.331 ± 0.003°
• Cell volume: 646.91 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0316
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No