Information card for entry 4510142

Structure parameters

• Formula: C16 H32 Cu4 I4 S4
• Calculated formula: C16 H32 Cu4 I4 S4
• Title of publication: Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System
• Authors of publication: Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1449
• a: 9.5824 ± 0.0002 Å
• b: 34.9161 ± 0.0006 Å
• c: 17.9841 ± 0.0003 Å
• α: 90°
• β: 91.281 ± 0.001°
• γ: 90°
• Cell volume: 6015.62 ± 0.19 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No