Information card for entry 2023261

Structure parameters

• Chemical name: 8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II) dihydrate
• Formula: C16 H17 Cl3 Cu N2 O7
• Calculated formula: C16 H17 Cl3 Cu N2 O7
• SMILES: [Cu]12(Cl)(Cl)(Cl)[O]=C(O)c3[n]2c(ccc3)C(=[O]1)O.Oc1cccc2ccc[nH+]c12.O.O
• Title of publication: 8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ3 O,N,O′)copper(II) dihydrate
• Authors of publication: Nazarov, Yusufjon Eshkobilovich; Turaev, Khayit Khudainazarovich; Suyunov, Jabbor Ruziboevich; Alimnazarov, Bekmurod Khurramovich; Rasulov, Abdusamat Abdujabborovich; Ibragimov, Bakhtiyar Tulyaganovich; Ashurov, Jamshid Mengnorovich
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• a: 8.4699 ± 0.0005 Å
• b: 9.7818 ± 0.0005 Å
• c: 12.9026 ± 0.0011 Å
• α: 77.238 ± 0.006°
• β: 89.207 ± 0.006°
• γ: 78.038 ± 0.005°
• Cell volume: 1019.37 ± 0.12 ų
• Cell temperature: 291.15 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No