Information card for entry 7024227

Structure parameters

• Formula: C196 H140 Ag16 F48 N32 O66 S16
• Calculated formula: C196 H140 Ag16 F48 N32 O66 S16
• SMILES: C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.S(=O)(=O)(O[Ag]1[n]2c(cccc2)C2c3cccc[n]3[Ag]3([n]4c(cccc4)C(c4cccc[n]4[Ag]4([n]5c(cccc5)C5c6cccc[n]6[Ag]6([n]7c(C(=[O]6)c6cccc[n]16)cccc7)[O]=5)OS(=[O][Ag]15[n]6c(C(=O)c7cccc[n]7[Ag]([n]7c(cccc7)C7c8cccc[n]8[Ag]8([n]9c(cccc9)C(c9cccc[n]9[Ag]([n]9c(cccc9)C(=[O]5)c5cccc[n]15)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)=[O]8)[O]=7)(OS(C(F)(F)F)(=[O][Ag]1([n]5c(cccc5)C5c7cccc[n]7[Ag]7([n]8c(C(=[O]7)c7cccc[n]7[Ag]([n]7c(cccc7)C7c9cccc[n]9[Ag]9([n]%10c(cccc%10)C(c%10cccc[n]1%10)=[O]9)[O]=7)OS(=O)(=O)C(F)(F)F)cccc8)[O]=5)OS(=[O][Ag]15[n]7c(C(=O)c8cccc[n]8[Ag]([n]8c(cccc8)C8c9cccc[n]9[Ag]9([n]%10c(cccc%10)C(c%10cccc[n]%10[Ag]([n]%10c(cccc%10)C(=[O]5)c5cccc[n]15)(OS(=O)(=O)C(F)(F)F)OS(=O)(C(F)(F)F)=O)=[O]9)[O]=8)(OS(C(F)(F)F)(=[O]4)=O)OS(=O)(=O)C(F)(F)F)cccc7)(=O)C(F)(F)F)=O)OS(=O)(=O)C(F)(F)F)cccc6)(=O)C(F)(F)F)=[O]3)[O]=2)C(F)(F)F.C(C)O.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.C(C)O
• 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: 14.5426 ± 0.0008 Å
• b: 20.273 ± 0.001 Å
• c: 21.491 ± 0.001 Å
• α: 79.42 ± 0.001°
• β: 82.373 ± 0.001°
• γ: 75.45 ± 0.001°
• Cell volume: 6003.5 ± 0.5 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: 0.097
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No