Information card for entry 7710995

Structure parameters

• Formula: C30 H28 N2 S4
• Calculated formula: C30 H28 N2 S4
• Title of publication: Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2
• Authors of publication: Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.8983 ± 0.0003 Å
• b: 12.7382 ± 0.0003 Å
• c: 18.6419 ± 0.0007 Å
• α: 90°
• β: 104.692 ± 0.003°
• γ: 90°
• Cell volume: 2733.04 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No