Information card for entry 7063543

Structure parameters

• Formula: C21 H15 N2 O4 Re S
• Calculated formula: C21 H15 N2 O4 Re S
• Title of publication: Synthesis, characterization, DNA/protein-binding study and anticancer activity of novel tricarbonyl Re(i) complexes with an ONS donor azo-thioether pincer ligand
• Authors of publication: Das, Akash; Guha, Subhabrata; Halder, Arpan; Gharami, Saswati; Naskar, Rahul; Das, Gaurav; Mondal, Tapan K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 559 - 571
• a: 12.3197 ± 0.0013 Å
• b: 18.6903 ± 0.0019 Å
• c: 9.6299 ± 0.0011 Å
• α: 90°
• β: 111.997 ± 0.003°
• γ: 90°
• Cell volume: 2056 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No