Information card for entry 4316243

Structure parameters

• Formula: C26.5 H29 Cl Cu I O3 S2
• Calculated formula: C26.5 H29 Cl Cu I 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: 10.6591 ± 0.0005 Å
• b: 13.294 ± 0.0007 Å
• c: 20.8899 ± 0.001 Å
• α: 73.689 ± 0.002°
• β: 76.23 ± 0.002°
• γ: 72.909 ± 0.002°
• Cell volume: 2676.3 ± 0.2 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No