Information card for entry 7721116

Structure parameters

• Chemical name: NDB_250122_Sc_RuC2S1
• Formula: C27 H31 Cl2 N3 O Ru S
• Calculated formula: C27 H31 Cl2 N3 O Ru 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: 9.83 ± 0.0002 Å
• b: 10.7298 ± 0.0002 Å
• c: 14.3576 ± 0.0003 Å
• α: 92.752 ± 0.002°
• β: 105.915 ± 0.002°
• γ: 97.224 ± 0.002°
• Cell volume: 1439.34 ± 0.05 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No