Information card for entry 4346894

Structure parameters

• Formula: C11 H17 Cu I O2 S2
• Calculated formula: C11 H17 Cu I O2 S2
• Title of publication: Ligand-Induced Formation of Copper(I) Iodide Clusters: Exocyclic Coordination Polymers with Bis-dithiamacrocycle Isomers.
• Authors of publication: Kim, Seulgi; Siewe, Arlette Deukam; Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Ki-Min; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2018 - 2022
• a: 8.4423 ± 0.0004 Å
• b: 18.6186 ± 0.0009 Å
• c: 9.4896 ± 0.0004 Å
• α: 90°
• β: 106.848 ± 0.002°
• γ: 90°
• Cell volume: 1427.59 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No