Information card for entry 4506813

Structure parameters

• Formula: C22 H28 Ag Cl O8 S2
• Calculated formula: C22 H28 Ag Cl O8 S2
• SMILES: [Ag]123[S]4Cc5c(OCCOc6c(C[S]1CC[O]3CC[O]2CC4)cccc6)cccc5.Cl(=O)(=O)(=O)[O-]
• Title of publication: Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures
• Authors of publication: Ju, Huiyeong; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4972
• a: 11.121 ± 0.0003 Å
• b: 13.16 ± 0.0003 Å
• c: 18.9759 ± 0.0004 Å
• α: 80.715 ± 0.001°
• β: 75.251 ± 0.001°
• γ: 65.589 ± 0.001°
• Cell volume: 2440.6 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No