Information card for entry 7045329

Structure parameters

• Chemical name: Complex of ethyldi(pyridin-2-yl)phosphine oxide with copper(I) iodide
• Formula: C24 H26 Cu2 I2 N4 O2 P2
• Calculated formula: C24 H26 Cu2 I2 N4 O2 P2
• SMILES: [I]1[Cu]23([I][Cu]413[n]1ccccc1P(=O)(CC)c1[n]4cccc1)[n]1ccccc1P(=O)(CC)c1[n]2cccc1
• Title of publication: Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.
• Authors of publication: Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2701 - 2710
• a: 8.6569 ± 0.0003 Å
• b: 15.0992 ± 0.0005 Å
• c: 21.893 ± 0.0008 Å
• α: 90°
• β: 92.317 ± 0.001°
• γ: 90°
• Cell volume: 2859.34 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No