Information card for entry 7251111

Structure parameters

• Formula: C21 H27 Ag N4 O3
• Calculated formula: C21 H27 Ag N4 O3
• Title of publication: Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies
• Authors of publication: Radiush, Ekaterina A.; Sinelnikov, Gleb O.; Sukhikh, Taisiya Sergeevna; Shurikov, Matvey K.; Shamshurin, Maxim; Semenov, Nikolay A.; Postnikov, Pavel S.; Sokolov, Maksim Nailyevich; Abramov, Pavel A.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 8.45 ± 0.003 Å
• b: 29.055 ± 0.01 Å
• c: 9.635 ± 0.003 Å
• α: 90°
• β: 110.092 ± 0.009°
• γ: 90°
• Cell volume: 2221.6 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1269
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2303
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No