Information card for entry 4000730

Structure parameters

• Formula: C90 H60 Ag6 F18 N24 O24 S6
• Calculated formula: C90 H60 Ag6 F18 N24 O24 S6
• SMILES: O=S(=O)(C(F)(F)F)O[Ag]123[n]4ccccc4c4c5c6cccc[n]6[Ag]67([n]5c5c8[n]4[Ag]49([n]%10c(c%11[n]1c1c%12[n]2c(c2[n]3cccc2)c([n]2c%12c3c%12c1[n]1c%11c%11cccc[n]%11[Ag]%111([n]%12c1c%12[n]3[Ag]2(OS(=O)(=O)C(F)(F)F)([n]2ccccc2c2[n]7c5c3c5c8[n]4c(c4[n]9cccc4)c(c4[n]%11cccc4)[n]5[Ag]4([n]5c1cccc5)([n]3c2c1[n]4cccc1)OS(=O)(C(F)(F)F)=O)[n]1c%12cccc1)OS(=O)(C(F)(F)F)=O)c1cccc[n]61)cccc%10)OS(=O)(C(F)(F)F)=O)OS(=O)(C(F)(F)F)=O.O.O.O.O.O.O
• Title of publication: Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods
• Authors of publication: Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1505
• a: 30.319 ± 0.002 Å
• b: 30.319 ± 0.002 Å
• c: 10.119 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8055.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No