Information card for entry 1565251

Structure parameters

• Formula: C31 H22 Ag F3 N2 O3 S
• Calculated formula: C31 H22 Ag F3 N2 O3 S
• SMILES: [Ag](OS(=O)(=O)C(F)(F)F)([n]1c2c(ccc1)cccc2c1ccccc1)[n]1c2c(c3ccccc3)cccc2ccc1
• Title of publication: Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands: Interplay of coordination bonds, semicoordination, and stacking interactions
• Authors of publication: Bolotin, Dmitrii S.; Soldatova, Natalia S.; Demakova, Marina Ya.; Novikov, Alexander S.; Ivanov, Daniil M.; Aliyarova, Irina S.; Sapegin, Alexander; Krasavin, Mikhail
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 504
• Pages of publication: 119453
• a: 9.3352 ± 0.0002 Å
• b: 11.6054 ± 0.0003 Å
• c: 24.7715 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2683.71 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No