Information card for entry 7708330

Structure parameters

• Formula: C36 H26 Cu3 I5 N4 S2
• Calculated formula: C36 H26 Cu3 I5 N4 S2
• Title of publication: Encapsulating third donors into D‒A hybrid heterostructures to form three-component charge-transfer complexes for enhanced electrical properties
• Authors of publication: Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 15.4877 ± 0.0005 Å
• b: 13.3252 ± 0.0004 Å
• c: 18.3914 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3795.6 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No