Information card for entry 7057575

Structure parameters

• Formula: C29 H31 Ag F3 N6 O2.5 S3
• Calculated formula: C29 H31 Ag F3 N6 O2.5 S3
• Title of publication: Effects of methyl groups in a pyrimidine-based flexible ligand on the formation of silver(i) coordination networks
• Authors of publication: Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Paul, Anup; Crispini, Alessandra; Giorno, Eugenia; Lelj, Francesco; Stoia, Sonia; Amati, Mario
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 13998
• a: 20.058 ± 0.004 Å
• b: 11.42 ± 0.002 Å
• c: 15.067 ± 0.003 Å
• α: 90°
• β: 100.308 ± 0.014°
• γ: 90°
• Cell volume: 3395.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No