Information card for entry 7061342

Structure parameters

• Formula: C23 H21 Cu N3 O5
• Calculated formula: C23 H21 Cu N3 O5
• 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: 13.8822 ± 0.0004 Å
• b: 8.3669 ± 0.0002 Å
• c: 18.7238 ± 0.0005 Å
• α: 90°
• β: 111.589 ± 0.003°
• γ: 90°
• Cell volume: 2022.22 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No