Information card for entry 4506818

Structure parameters

• Formula: C58 H72 Ag2 Cl2 N4 O16 S4
• Calculated formula: C58 H72 Ag2 Cl2 N4 O16 S4
• 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: 14.8227 ± 0.0003 Å
• b: 20.0735 ± 0.0005 Å
• c: 22.3386 ± 0.0006 Å
• α: 90°
• β: 105.791 ± 0.002°
• γ: 90°
• Cell volume: 6395.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No