Information card for entry 4505514

Structure parameters

• Formula: C36 H51 Ag3 Cl3 N3 O12 S6
• Calculated formula: C36 H51 Ag3 Cl3 N3 O12 S6
• Title of publication: Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures
• Authors of publication: Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1320
• a: 10.3356 ± 0.0004 Å
• b: 14.5288 ± 0.0006 Å
• c: 31.326 ± 0.0012 Å
• α: 90°
• β: 91.665 ± 0.001°
• γ: 90°
• Cell volume: 4702 ± 0.3 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: 0.0571
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No