Information card for entry 7062252

Structure parameters

• Formula: C28 H34 N4 O4 Ru S2
• Calculated formula: C28 H34 N4 O4 Ru S2
• SMILES: [Ru]12([S](=O)(C)C)([S](=O)(C)C)([N](c3ccc(OC)cc3)=Cc3n1ccc3)n1c(C=[N]2c2ccc(OC)cc2)ccc1
• Title of publication: N-(Aryl)pyrrole-2-aldimine complexes of ruthenium: synthesis, structure, and spectral and electrochemical properties
• Authors of publication: Chandra, Anushri; Dhibar, Papu; Dutta, Pragna; Paul, Piyali; Bhattacharya, Samaresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 3492 - 3501
• a: 11.261 ± 0.006 Å
• b: 14.816 ± 0.008 Å
• c: 17.804 ± 0.009 Å
• α: 90°
• β: 105.319 ± 0.015°
• γ: 90°
• Cell volume: 2865 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1485
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No