Information card for entry 7721112

Structure parameters

• Formula: C17 H17 N3 O S
• Calculated formula: C17 H17 N3 O S
• Title of publication: Organoruthenium(II) complexes appended with racemic pyrazoline ligands: An integrated experimental and theoretical insights revealing their apoptotic efficacy
• Authors of publication: Manimuthu, Akilesh; Bhuvanesh, Nattamai; Nallasamy, Professor Dr. Dharmaraj
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 5.6408 ± 0.0001 Å
• b: 9.3444 ± 0.0003 Å
• c: 15.6537 ± 0.0004 Å
• α: 72.66 ± 0.002°
• β: 82.131 ± 0.002°
• γ: 87.333 ± 0.002°
• Cell volume: 780.18 ± 0.04 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: 0.0303
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No