Information card for entry 7024222

Structure parameters

• Formula: C13 H16 Ag F3 N4 O3 S
• Calculated formula: C13 H16 Ag F3 N4 O3 S
• SMILES: [Ag]1([O]=S(=O)(O1)C(F)(F)F)([n]1c(N)cccc1C)[n]1c(N)cccc1C
• Title of publication: Syntheses, structures and spectroscopy of uni- and bi-dentate nitrogen base complexes of silver(I) trifluoromethanesulfonate.
• Authors of publication: Di Nicola, Corrado; Effendy,; Marchetti, Fabio; Nervi, Carlo; Pettinari, Claudio; Robinson, Ward T.; Sobolev, Alexandre N.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 908 - 922
• a: 7.846 ± 0.0006 Å
• b: 8.0594 ± 0.0006 Å
• c: 14.613 ± 0.001 Å
• α: 90.209 ± 0.002°
• β: 99.894 ± 0.002°
• γ: 111.199 ± 0.002°
• Cell volume: 846.52 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No