Information card for entry 4510139

Structure parameters

• Formula: C8 H16 Cu4 I4 S2
• Calculated formula: C8 H16 Cu4 I4 S2
• 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: 11.7527 ± 0.0002 Å
• b: 11.8972 ± 0.0002 Å
• c: 13.3762 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.32 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No