Information card for entry 4510143

Structure parameters

• Formula: C30 H59 Cu10 I10 N S7
• Calculated formula: C30 H59 Cu10 I10 N S7
• 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: 11.9107 ± 0.0004 Å
• b: 12.2273 ± 0.0004 Å
• c: 21.0371 ± 0.0006 Å
• α: 90°
• β: 97.434 ± 0.002°
• γ: 90°
• Cell volume: 3038 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No