Information card for entry 7033222

Structure parameters

• Formula: C22 H22 Cl N3 Pt
• Calculated formula: C22 H22 Cl N3 Pt
• SMILES: [Pt]1(c2ccccc2c2[n]1cccc2)(Cl)=C1N(CC)c2ccccc2N1CC
• 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: 11.4645 ± 0.0002 Å
• b: 10.03648 ± 0.00015 Å
• c: 18.1023 ± 0.0003 Å
• α: 90°
• β: 103.23 ± 0.0016°
• γ: 90°
• Cell volume: 2027.62 ± 0.06 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: 0.0301
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No