Information card for entry 7063542

Structure parameters

• Chemical name: 2
• Formula: C15 H13 N2 O5 Re S
• Calculated formula: C15 H13 N2 O5 Re S
• Title of publication: Synthesis, characterization, DNA/Protein binding study and anticancer activity of novel tricarbonyl Re(I) complexes with ONS donor azo-thioether ligands
• Authors of publication: Mondal, Tapan Kumar; Das, Akash; Guha, Subhabrata; Halder, Arpan; Gharami, Saswati; Naskar, Rahul; Das, Gaurav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 6.7789 ± 0.0003 Å
• b: 28.837 ± 0.0012 Å
• c: 9.0488 ± 0.0004 Å
• α: 90°
• β: 106.466 ± 0.001°
• γ: 90°
• Cell volume: 1696.34 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0313
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No