Information card for entry 2022934

Structure parameters

• Chemical name: [Bis(pyridin-2-yl-κ<i>N</i>)amine](formato-κ<i>O</i>)(<i>m</i>-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Formula: C18 H15 Cu N3 O5
• Calculated formula: C18 H15 Cu N3 O5
• Title of publication: Crystal structure and Hirshfeld surface analysis of a new mononuclear copper(II) complex: [bis(pyridin-2-yl-κN)amine](formato-κO)(m-hydroxybenzoato-κ2 O,O′)copper(II)
• Authors of publication: Chaisuriya, Wanassanan; Chainok, Kittipong; Wannarit, Nanthawat
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 1115 - 1120
• a: 8.3265 ± 0.0003 Å
• b: 14.9699 ± 0.0005 Å
• c: 13.9523 ± 0.0004 Å
• α: 90°
• β: 99.242 ± 0.001°
• γ: 90°
• Cell volume: 1716.53 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0891
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes