Information card for entry 4336392

Structure parameters

• Formula: C22 H15 N3 Pt
• Calculated formula: C22 H15 N3 Pt
• SMILES: [Pt]12([n]3c(c4c2cccc4)cccc3n2[n]1ccc2)C#Cc1ccccc1
• Title of publication: Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^N- and C^N^N-Coordinated Platinum Complexes
• Authors of publication: Caleb F. Harris; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11711 - 11722
• a: 10.6293 ± 0.0016 Å
• b: 11.838 ± 0.002 Å
• c: 14.037 ± 0.002 Å
• α: 80.17 ± 0.013°
• β: 82.194 ± 0.004°
• γ: 89.536 ± 0.005°
• Cell volume: 1724 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No