Information card for entry 2021353

Structure parameters

• Chemical name: Poly[μ~4~-iodido-μ~3~-iodido-[<i>N</i>-(benzo[<i>d</i>]thiazol-2-yl)benzamide-κ<i>N</i>]dicopper(I)]
• Formula: C14 H10 Cu2 I2 N2 O S
• Calculated formula: C14 H10 Cu2 I2 N2 O S
• SMILES: [Cu]1([Cu]234[I]1[Cu]145([I]42[Cu]32([Cu]367[n]8c(sc9ccccc89)NC(=O)c8ccccc8)[Cu]1489([I]5)[I]23[Cu]681([I]9)[I][Cu](I)([I]71)[n]1c(sc2ccccc12)NC(=O)c1ccccc1)[n]1c(sc2ccccc12)NC(=O)c1ccccc1)[n]1c(sc2ccccc12)NC(=O)c1ccccc1
• Title of publication: Copper(I) iodide ribbons coordinated with thiourea derivatives
• Authors of publication: Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 12.688 ± 0.0012 Å
• b: 4.1152 ± 0.0004 Å
• c: 15.8952 ± 0.0015 Å
• α: 90°
• β: 100.258 ± 0.008°
• γ: 90°
• Cell volume: 816.68 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes