Information card for entry 7063847

Structure parameters

• Formula: C13 H12 N4 O4 S
• Calculated formula: C13 H12 N4 O4 S
• Title of publication: Functionalized nitro-piperonal thiosemicarbazone based ruthenium(ii)–arene complexes for DNA interaction, anticancer and flow cytometry studies
• Authors of publication: Vadakkedathu Palakkeezhillam, Vishnunarayanan Namboothiri; Haribabu, Jebiti; Karthik, K. S.; Suresh Kumar, Vaishnu; Manakkadan, Vipin; Rasin, Puthiyavalappil; Garg, Mohith; Arulraj, Arunachalam; Moraga, Daniel; Sreekanth, Anandaram
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 11531 - 11547
• a: 6.27 ± 0.0004 Å
• b: 16.0102 ± 0.0011 Å
• c: 14.1883 ± 0.0009 Å
• α: 90°
• β: 92.133 ± 0.003°
• γ: 90°
• Cell volume: 1423.29 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.099
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No