Information card for entry 7707292

Structure parameters

• Chemical name: Ru-ttpy-sac
• Formula: C33 H23 N5 O7 Ru S3
• Calculated formula: C33 H23 N5 O7 Ru S3
• SMILES: [Ru]12([OH2])([n]3c(c4[n]1c(cc(c4)c1sccc1)c1[n]2cccc1)cccc3)(N1S(=O)(=O)c2c(C1=O)cccc2)N1S(=O)(=O)c2c(C1=O)cccc2
• Title of publication: Kinetically labile ruthenium(II) complexes of terpyridines and saccharin: effect of substituents on photoactivity, solvation kinetics, and photocytotoxicity.
• Authors of publication: Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Pakira, Sandip; Sivakumar, Sri; Patra, Ashis K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 23
• Pages of publication: 8196 - 8217
• a: 11.5927 ± 0.0018 Å
• b: 13.445 ± 0.002 Å
• c: 13.715 ± 0.002 Å
• α: 78.814 ± 0.003°
• β: 67.894 ± 0.003°
• γ: 68.326 ± 0.003°
• Cell volume: 1836.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No