Information card for entry 7709017

Structure parameters

• Formula: C46 H49 B F10 N3
• Calculated formula: C43 H42 B F10 N3
• SMILES: N(/C(=C/C1[B](C(=N\C(C)(C)C)/[N+]=1c1c(C)cccc1C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C/C=C/c1ccccc1)(C(C)C)C(C)C
• Title of publication: Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands
• Authors of publication: Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 16.808 ± 0.003 Å
• b: 16.731 ± 0.003 Å
• c: 31.076 ± 0.006 Å
• α: 90°
• β: 90.186 ± 0.004°
• γ: 90°
• Cell volume: 8739 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.2214
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No