Information card for entry 7703486

Structure parameters

• Formula: C30 H24 Cu2 I2 N6 P2
• Calculated formula: C30 H24 Cu2 I2 N6 P2
• Title of publication: New Cu(i) halide complexes showing TADF combined with room temperature phosphorescence: the balance tuned by halogens.
• Authors of publication: Baranov, Andrey Yu; Berezin, Alexey S.; Samsonenko, Denis G.; Mazur, Anton S.; Tolstoy, Peter M.; Plyusnin, Viktor F.; Kolesnikov, Ilya E.; Artem'ev, Alexander V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3155 - 3163
• a: 9.3613 ± 0.0003 Å
• b: 11.3294 ± 0.0004 Å
• c: 15.9037 ± 0.0005 Å
• α: 90°
• β: 103.734 ± 0.003°
• γ: 90°
• Cell volume: 1638.49 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No