Information card for entry 7061339

Structure parameters

• Formula: C26 H32 Cu2 N4 O8
• Calculated formula: C26 H32 Cu2 N4 O8
• SMILES: [Cu]123(OC(=O)c4[n]2c2ccccc2cc4)[O]([Cu]24(OC(=O)c5[n]2c2ccccc2cc5)[O]1CCC[NH2]4)CCC[NH2]3.O.O
• 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: 10.0507 ± 0.0004 Å
• b: 11.552 ± 0.0005 Å
• c: 12.1515 ± 0.0006 Å
• α: 82.366 ± 0.004°
• β: 83.857 ± 0.004°
• γ: 81 ± 0.004°
• Cell volume: 1375.77 ± 0.11 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: 0.0486
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No