Information card for entry 4349974

Structure parameters

• Chemical name: complex of copper(I) iodide with 6-methyl-2-ethylthiopyridine
• Formula: C16 H22 Cu3 I3 N2 S2
• Calculated formula: C16 H22 Cu3 I3 N2 S2
• Title of publication: Chemoselective mechanochemical route toward a bright TADF-emitting CuI-based coordination polymer
• Authors of publication: Artem'ev, Alexander V.; Doronina, Evgeniya P.; Rakhmanova, Mariana I.; Tarasova, Olga A.; Bagryanskaya, Irina Yu.; Nedolya, Nina A.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 671
• a: 9.6005 ± 0.0006 Å
• b: 17.2685 ± 0.0015 Å
• c: 15.6571 ± 0.001 Å
• α: 90°
• β: 107.09 ± 0.002°
• γ: 90°
• Cell volume: 2481.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No