Information card for entry 7033221

Structure parameters

• Formula: C34 H26 Br N3 Pt
• Calculated formula: C34 H26 Br N3 Pt
• SMILES: [Pt]1(c2c3c(ccc2)ccc2c3[n]1ccc2)(Br)=C1N(Cc2ccccc2)c2ccccc2N1Cc1ccccc1
• Title of publication: Cyclometallated platinum(ii) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.
• Authors of publication: Solomatina, A. I.; Krupenya, D. V.; Gurzhiy, V. V.; Zlatkin, I.; Pushkarev, A. P.; Bochkarev, M. N.; Besley, N. A.; Bichoutskaia, E.; Tunik, S. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7152 - 7162
• a: 11.1357 ± 0.0003 Å
• b: 17.1603 ± 0.0004 Å
• c: 14.9407 ± 0.0004 Å
• α: 90°
• β: 105.474 ± 0.003°
• γ: 90°
• Cell volume: 2751.56 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No