Information card for entry 7714801

Structure parameters

• Formula: C14 H12 Co N7 S3
• Calculated formula: C14 H12 Co N7 S3
• 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: 10.311 ± 0.0017 Å
• b: 12.3024 ± 0.0019 Å
• c: 28.363 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3597.8 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P b c b
• Hall space group symbol: -P 2bc 2b
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0704
• 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: Yes
• Has Fobs: No