Information card for entry 7010355

Structure parameters

• Common name: [12]aneS4 tetra(copper(I) iodide)
• Chemical name: 1,4,7,10-tetrathiacyclododecane tetra(copper(I) iodide)
• Formula: C2 H4 Cu I S
• Calculated formula: C2 H4 Cu I S
• 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: 11.2982 ± 0.0009 Å
• b: 11.2982 ± 0.0009 Å
• c: 8.253 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1053.49 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No