Information card for entry 7720834

Structure parameters

• Formula: C17 H12 Br Cu N3 O6
• Calculated formula: C17 H12 Br Cu N3 O6
• Title of publication: Structure-bioactivity relationship in copper(II) complexes with new halogenated coumarin derivatives.
• Authors of publication: Kurjan, Jakub; Jendželovská, Zuzana; Dečmanová, Viktória; Jendželovský, Rastislav; Kastratovic, Nikolina; Volarevic, Vladislav; Smolko, Lukáš; Smolková, Romana; Litecká, Miroslava; Zubrik, Anton; Jáger, Dávid; Varhač, Rastislav; Potočňák, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 9.7971 ± 0.0006 Å
• b: 8.3659 ± 0.0004 Å
• c: 21.8709 ± 0.0012 Å
• α: 90°
• β: 94.624 ± 0.005°
• γ: 90°
• Cell volume: 1786.74 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No