Information card for entry 7703485

Structure parameters

• Formula: C30 H24 Br2 Cu2 N6 P2
• Calculated formula: C30 H24 Br2 Cu2 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: 8.744 ± 0.0017 Å
• b: 11.97 ± 0.0006 Å
• c: 15.25 ± 0.0011 Å
• α: 90°
• β: 103.73 ± 0.03°
• γ: 90°
• Cell volume: 1550.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.79475 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No