Information card for entry 7716204

Structure parameters

• Formula: C18 H22 N2 O2 Ru S4
• Calculated formula: C18 H22 N2 O2 Ru S4
• SMILES: [Ru]123([S]=C(S1)OC(C)C)([S]=C(S2)OC(C)C)[n]1ccccc1c1[n]3cccc1
• Title of publication: Development of ruthenium complexes with S-donor ligands for application in synthesis, catalytic acceptorless alcohol dehydrogenation and crossed-aldol condensation.
• Authors of publication: Chandra, Anushri; Basu, Pousali; Raha, Shreya; Dhibar, Papu; Bhattacharya, Samaresh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10675 - 10685
• a: 12.6625 ± 0.0004 Å
• b: 11.482 ± 0.0004 Å
• c: 16.5225 ± 0.0006 Å
• α: 90°
• β: 105.703 ± 0.001°
• γ: 90°
• Cell volume: 2312.56 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No