Information card for entry 4315602

Structure parameters

• Formula: C28 H19 N3 Pt
• Calculated formula: C28 H19 N3 Pt
• SMILES: [Pt]123[n]4c(c5c3cccc5)cccc4N(c3[n]1c(ccc3)c1ccccc21)c1ccccc1
• Title of publication: Highly Luminescent Tetradentate Bis-Cyclometalated Platinum Complexes: Design, Synthesis, Structure, Photophysics, and Electroluminescence Application
• Authors of publication: Dileep A. K. Vezzu; Joseph C. Deaton; James S. Jones; Libero Bartolotti; Caleb F. Harris; Alfred P. Marchetti; Marina Kondakova; Robert D. Pike; Shouquan Huo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5107 - 5119
• a: 13.0967 ± 0.0001 Å
• b: 15.1234 ± 0.0002 Å
• c: 11.249 ± 0.0001 Å
• α: 90°
• β: 108.99 ± 0.0004°
• γ: 90°
• Cell volume: 2106.79 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No