Information card for entry 7010351

Structure parameters

• Common name: (CuI)2([16]aneS4)
• Chemical name: Bis(copper(I)Iodide) 1,4,7,10-tetrathiacyclohexadecane
• Formula: C12 H24 Cu2 I2 S4
• Calculated formula: C12 H24 Cu2 I2 S4
• Title of publication: Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles
• Authors of publication: Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 456
• a: 7.456 ± 0.002 Å
• b: 14.804 ± 0.003 Å
• c: 18.47 ± 0.005 Å
• α: 90°
• β: 98.33 ± 0.03°
• γ: 90°
• Cell volume: 2017.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No