Information card for entry 4305220

Structure parameters

• Formula: C62 H58 Ag2 F6 N10 O12 S2
• Calculated formula: C62 H58 Ag2 F6 N10 O12 S2
• SMILES: c1cccc2[n]1[Ag]13[n]4c(C2(OC)c2nc(ccc2)C2(OC)c5[n]([Ag]6([n]7ccccc7C(c7cccc[n]67)(OC)c6nc(ccc6)C(OC)(c6[n]1cccc6)c1[n]3cccc1)[n]1c2cccc1)cccc5)cccc4.FC(F)(F)S(=O)(=O)[O-].OC.FC(F)(F)S(=O)(=O)[O-].OC
• Title of publication: Self-Assembly of a Cyclic Metalladecapyridine from the Reaction of 2,6-Bis(bis(2-pyridyl)methoxymethane)pyridine with Silver(I)
• Authors of publication: Jie-Sheng Huang; Jin Xie; Steven C. F. Kui; Guo-Su Fang; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5727 - 5735
• a: 11.3418 ± 0.0013 Å
• b: 24.593 ± 0.003 Å
• c: 11.9934 ± 0.0014 Å
• α: 90°
• β: 104.56 ± 0.02°
• γ: 90°
• Cell volume: 3237.9 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No