Information card for entry 7714803

Structure parameters

• Formula: C30 H24 Co N6 P S3
• Calculated formula: C30 H24 Co N6 P S3
• SMILES: [Co]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Sc3[n]1cccn3)(Sc1[n]2cccn1)Sc1ncccn1
• Title of publication: Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.
• Authors of publication: Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1469 - 1481
• a: 10.1905 ± 0.0015 Å
• b: 11.2851 ± 0.0016 Å
• c: 14.0183 ± 0.0019 Å
• α: 97.77 ± 0.04°
• β: 94.79 ± 0.04°
• γ: 113.14 ± 0.04°
• Cell volume: 1452.2 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0683
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No