Information card for entry 4346892

Structure parameters

• Formula: C26 H40 Cu4 I4 N2 O4 S4
• Calculated formula: C26 H40 Cu4 I4 N2 O4 S4
• 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: 11.4705 ± 0.0004 Å
• b: 13.3545 ± 0.0004 Å
• c: 15.2718 ± 0.0005 Å
• α: 65.532 ± 0.002°
• β: 71.858 ± 0.002°
• γ: 73.126 ± 0.002°
• Cell volume: 1987.94 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No