Information card for entry 7132062

Structure parameters

• Chemical name: trifluoromethanesulfonate with diphenyl(2-pyrimidyl)phosphine
• Formula: C39 H32 Ag3 F9 N6 O9 P2 S3
• Calculated formula: C39 H32 Ag3 F9 N6 O9 P2 S3
• SMILES: [Ag]1([P](c2[n]([Ag](OS(=O)(=O)C(F)(F)F)[N]#CC)ccc[n]2[Ag]([P](c2[n]1cccn2)(c1ccccc1)c1ccccc1)[N]#CC)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Fast and reversible solvent-vapor-induced 1D to 2D transformation in emissive Ag(I)-organic networks
• Authors of publication: Rogovoy, Maxim; Rakhmanova, Marianna I.; Sadykov, Evgeniy; Carignan, Gia M.; Bagryanskaya, Irina Yu.; Li, Jing; Artem'ev, Alexander
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.121 ± 0.001 Å
• b: 14.6228 ± 0.0019 Å
• c: 19.074 ± 0.003 Å
• α: 80.516 ± 0.006°
• β: 78.591 ± 0.006°
• γ: 85.057 ± 0.006°
• Cell volume: 2455.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No