Information card for entry 1565394

Structure parameters

• Formula: C20 H15 Ag F3 N3 O2 S
• Calculated formula: C20.5 H15 Ag F1.5 N3 O3.5 S0.5
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Ag]1[n]2ccccc2C#Cc2cc(OC)c(OC)cc2C#Cc2[n]1cc[nH]2
• Title of publication: Synthesis of 4-[(2-imidazylethynyl)]-5-(2-pyridylethynyl)veratrole and characterization of the coordination complexes with silver(I) and palladium(II)
• Authors of publication: Nwachukwu, Chideraa I.; Bosch, Eric
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119328
• a: 53.94 ± 0.02 Å
• b: 6.826 ± 0.003 Å
• c: 24.457 ± 0.009 Å
• α: 90°
• β: 93.972 ± 0.004°
• γ: 90°
• Cell volume: 8983 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.181
• Residual factor for significantly intense reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.2903
• Weighted residual factors for all reflections included in the refinement: 0.3346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No