Information card for entry 7061335

Structure parameters

• Formula: C20 H12 Cu N2 O4
• Calculated formula: C20 H12 Cu N2 O4
• 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: 4.8617 ± 0.0002 Å
• b: 13.5497 ± 0.0005 Å
• c: 12.2556 ± 0.0004 Å
• α: 90°
• β: 96.467 ± 0.003°
• γ: 90°
• Cell volume: 802.2 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No