Information card for entry 7062255

Structure parameters

• Formula: C28 H34 N4 O2 Ru S2
• Calculated formula: C28 H34 N4 O2 Ru S2
• SMILES: [Ru]12([S](=O)(C)C)([S](=O)(C)C)(n3cccc3C=[N]1c1ccc(C)cc1)[N](=Cc1n2ccc1)c1ccc(C)cc1
• 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: 9.9413 ± 0.0011 Å
• b: 21.144 ± 0.002 Å
• c: 13.6997 ± 0.0014 Å
• α: 90°
• β: 101.252 ± 0.003°
• γ: 90°
• Cell volume: 2824.3 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0364
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No