Information card for entry 7710994

Structure parameters

• Formula: C17 H11 N S2
• Calculated formula: C17 H11 N S2
• SMILES: S=C1Sc2c3ccccc3ccc2N1c1ccccc1
• 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: 11.5301 ± 0.0002 Å
• b: 15.3915 ± 0.0003 Å
• c: 25.5188 ± 0.0005 Å
• α: 72.472 ± 0.002°
• β: 81.684 ± 0.001°
• γ: 74.729 ± 0.002°
• Cell volume: 4155.45 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• 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: No
• Has Fobs: No