Information card for entry 7714804

Structure parameters

• Formula: C36 H32 Co F6 N2 O0.25 P3 S2
• Calculated formula: C36 H32 Co F6 N2 O0.25 P3 S2
• 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: 12.6502 ± 0.0005 Å
• b: 13.2027 ± 0.0005 Å
• c: 22.541 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3764.7 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No