Information card for entry 7248777

Structure parameters

• Chemical name: tricarbonyl-(5-phenyl-1H-pyrazole)-(2-methylquinolin-8-olato-N,O)-rhenium(I)
• Formula: C22 H16 N3 O4 Re
• Calculated formula: C22 H16 N3 O4 Re
• Title of publication: Tricarbonyl rhenium(i) complexes with 8-hydroxyquinolines: structural, chemical, antibacterial, and anticancer characteristics
• Authors of publication: Łyczko, Krzysztof; Pogorzelska, Anna; Częścik, Urszula; Koronkiewicz, Mirosława; Rode, Joanna E.; Bednarek, Elżbieta; Kawęcki, Robert; Węgrzyńska, Karolina; Baraniak, Anna; Milczarek, Małgorzata; Dobrowolski, Jan Cz.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 25
• Pages of publication: 18080 - 18092
• a: 7.895 ± 0.0002 Å
• b: 10.3914 ± 0.0004 Å
• c: 12.3893 ± 0.0003 Å
• α: 79.872 ± 0.003°
• β: 84.527 ± 0.002°
• γ: 83.437 ± 0.003°
• Cell volume: 991.07 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No