Information card for entry 7062060

Structure parameters

• Common name: ROX-103
• Formula: C36 H44 Ag2 F12 N6 O14 S4 Se2
• Calculated formula: C36 H44 Ag2 F12 N6 O14 S4 Se2
• 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: 9.8868 ± 0.0004 Å
• b: 8.8596 ± 0.0003 Å
• c: 28.9794 ± 0.0011 Å
• α: 90°
• β: 91.637 ± 0.001°
• γ: 90°
• Cell volume: 2537.36 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No