Information card for entry 4305215

Structure parameters

• Formula: C72 H68 Ag2 N10 O12 S2
• Calculated formula: C72 H64 Ag2 N10 O12 S2
• SMILES: c1cc[n]2[Ag]34[n]5ccccc5C(c2c1)(OC)c1nc(ccc1)C1(OC)c2[n]([Ag]5([n]6ccccc6C(c6cccc[n]56)(OC)c5nc(ccc5)C(OC)(c5[n]3cccc5)c3[n]4cccc3)[n]3c1cccc3)cccc2.O=S(=O)([O-])c1ccc(cc1)C.O.[O-]S(=O)(=O)c1ccc(cc1)C.O
• 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: 11.953 ± 0.002 Å
• b: 12.003 ± 0.002 Å
• c: 13.222 ± 0.002 Å
• α: 66.55 ± 0.02°
• β: 76.09 ± 0.02°
• γ: 89.98 ± 0.02°
• Cell volume: 1679.6 ± 0.6 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No