Information card for entry 2312156

Structure parameters

• Chemical name: Diaquabis(8-hydroxyquinoline-2-carboxylato-κ^3^<i>N</i>,<i>O</i>^2^,<i>O</i>^8^)zirconium(IV) dimethylformamide disolvate
• Formula: C26 H28 N4 O10 Zr
• Calculated formula: C26 H28 N4 O10 Zr
• Title of publication: Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid.
• Authors of publication: Harmošová, Michaela; Vilková, Mária; Kello, Martin; Smolko, Lukáš; Samol'ová, Erika; Šebová, Dominika; Potočňák, Ivan
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 8
• a: 11.3873 ± 0.0005 Å
• b: 9.0517 ± 0.0004 Å
• c: 14.4136 ± 0.0007 Å
• α: 90°
• β: 113.225 ± 0.001°
• γ: 90°
• Cell volume: 1365.28 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes