Information card for entry 7131293

Structure parameters

• Formula: C74 H70 Cl16 Cu4 I4 N6 P4
• Calculated formula: C74 H70 Cl16 Cu4 I4 N6 P4
• Title of publication: A new subclass of copper(I) hybrid emitters showing TADF with near-unity quantum yields and a strong solvatochromic effect.
• Authors of publication: Baranov, Andrey Yu; Rakhmanova, Mariana I.; Hei, Xiuze; Samsonenko, Denis G.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Ryzhikov, Maxim R.; Fedin, Vladimir P.; Li, Jing; Artem'ev, Alexander V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 20
• Pages of publication: 2923 - 2926
• a: 12.32556 ± 0.00019 Å
• b: 12.5965 ± 0.0002 Å
• c: 14.6574 ± 0.0003 Å
• α: 97.7266 ± 0.0015°
• β: 95.1796 ± 0.0015°
• γ: 93.0511 ± 0.0013°
• Cell volume: 2240.89 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No