Information card for entry 7710749

Structure parameters

• Chemical name: 1,1,2,2-tetra(2-thiopyridyl)ethane
• Formula: C22 H16 N4 S4
• Calculated formula: C22 H16 N4 S4
• Title of publication: Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand
• Authors of publication: Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.9386 ± 0.0009 Å
• b: 10.304 ± 0.0007 Å
• c: 11.3175 ± 0.001 Å
• α: 90°
• β: 114.517 ± 0.01°
• γ: 90°
• Cell volume: 1054.5 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No