Information card for entry 7703598

Structure parameters

• Formula: C13 H9 N Se
• Calculated formula: C13 H9 N Se
• SMILES: [se]1c2c(cc1c1ncccc1)cccc2
• Title of publication: Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.
• Authors of publication: Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3393 - 3397
• a: 5.8878 ± 0.0002 Å
• b: 8.7611 ± 0.0003 Å
• c: 20.3085 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1047.59 ± 0.06 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No