Information card for entry 7714564

Structure parameters

• Formula: C14 H13 F3 O3 S Se
• Calculated formula: C14 H13 F3 O3 S Se
• SMILES: [Se+](c1ccccc1)(C)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Aryl selenonium <i>vs.</i> aryl sulfonium counterions in polyoxometalate chemistry: the impact of Se⁺ cationic centers on the photocatalytic reduction of dichromate.
• Authors of publication: Singh, Mahender; Yadav, Aakash; Singh, Ranjit; Pradeep, Chullikkattil P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 724 - 737
• a: 12.6439 ± 0.0006 Å
• b: 9.173 ± 0.0004 Å
• c: 15.4836 ± 0.0007 Å
• α: 90°
• β: 112.955 ± 0.006°
• γ: 90°
• Cell volume: 1653.62 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0437
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No