Information card for entry 7061352

Structure parameters

• Formula: C26 H28 Cu2 N4 O6
• Calculated formula: C26 H28 Cu2 N4 O6
• SMILES: [Cu]123([O](CCC[NH2]1)[Cu]15(OC(=O)c6[n]5c5ccccc5cc6)[O]2CCC[NH2]1)OC(=O)c1[n]3c2ccccc2cc1
• Title of publication: Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols
• Authors of publication: Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6899 - 6920
• a: 9.5521 ± 0.0005 Å
• b: 10.162 ± 0.0005 Å
• c: 14.8273 ± 0.001 Å
• α: 72.689 ± 0.005°
• β: 75.638 ± 0.005°
• γ: 66.35 ± 0.005°
• Cell volume: 1244.96 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0487
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No