Information card for entry 4331869

Structure parameters

• Formula: C48 H64 Ag2 F12 O4 P2 S8
• Calculated formula: C48 H64 Ag2 F12 O4 P2 S8
• SMILES: [Ag]123([S]4Cc5cc(ccc5)C[S]1CC[O]3CC4)[S]1CCOCC[S]([Ag]3([S]4CCOCC[S]2Cc2cc(ccc2)C4)[S]2Cc4cc(ccc4)C[S]3CCOCC2)Cc2cc(ccc2)C1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity
• Authors of publication: Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 952 - 954
• a: 17.2521 ± 0.0007 Å
• b: 16.6342 ± 0.0007 Å
• c: 21.0769 ± 0.0009 Å
• α: 90°
• β: 108.639 ± 0.001°
• γ: 90°
• Cell volume: 5731.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No