Information card for entry 7061091

Structure parameters

• Formula: C16 H18 O2 P S2 Tl
• Calculated formula: C16 H18 O2 P S2 Tl
• Title of publication: An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations
• Authors of publication: Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 832 - 843
• a: 10.9662 ± 0.0003 Å
• b: 11.3253 ± 0.0004 Å
• c: 14.7907 ± 0.0004 Å
• α: 90°
• β: 100.286 ± 0.003°
• γ: 90°
• Cell volume: 1807.42 ± 0.1 ų
• Number of distinct elements: 6
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No