Information card for entry 7062061

Structure parameters

• Common name: Rox101
• Formula: C22 H24 Ag F3 N2 O3 S2 Se
• Calculated formula: C22 H24 Ag F3 N2 O3 S2 Se
• SMILES: [Ag]12([Se](c3c(cccc3)C[N]1(CC)CC)Cc1[n]2c(sc1)c1ccccc1)OS(=O)(=O)C(F)(F)F
• Title of publication: On the coordination behaviour of diorganoselenium ligands based on amino and azole functionalities: silver(i) complexes with relevance for biological applications
• Authors of publication: Popa, Roxana A.; David, Maria; Licarete, Emilia; Banciu, Manuela; Silvestru, Anca
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 48
• Pages of publication: 23019 - 23029
• a: 10.457 ± 0.0002 Å
• b: 15.9675 ± 0.0004 Å
• c: 14.6466 ± 0.0004 Å
• α: 90°
• β: 102.627 ± 0.001°
• γ: 90°
• Cell volume: 2386.43 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0219
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No