Information card for entry 4510141

Structure parameters

• Formula: C14 H27 Cu3 I3 N S3
• Calculated formula: C14 H27 Cu3 I3 N S3
• 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: 22.7901 ± 0.0007 Å
• b: 13.2617 ± 0.0004 Å
• c: 16.0147 ± 0.0005 Å
• α: 90°
• β: 90.1331 ± 0.0011°
• γ: 90°
• Cell volume: 4840.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No