Information card for entry 4316236

Structure parameters

• Formula: C26 H28 O3 S2
• Calculated formula: C26 H28 O3 S2
• Title of publication: Sulfur-Containing Mixed-Donor Tribenzo-Macrocycles and Their Endo- and Exocyclic Supramolecular Silver(I) and Copper(I) Complexes
• Authors of publication: Eun-Ju Kang; So Young Lee; Hayan Lee; Shim Sung Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7510 - 7520
• a: 8.5743 ± 0.0007 Å
• b: 8.7776 ± 0.0007 Å
• c: 30.463 ± 0.002 Å
• α: 90°
• β: 97.707 ± 0.004°
• γ: 90°
• Cell volume: 2272 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No