Information card for entry 4315603

Structure parameters

• Formula: C85 H59 Cl2 N9 Pt3
• Calculated formula: C85 H59 Cl2 N9 Pt3
• SMILES: [Pt]123c4c(c5[n]1cccc5)cccc4N(c1cccc(c4[n]2cccc4)c31)c1ccccc1.ClCCl
• 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: 11.3262 ± 0.0011 Å
• b: 15.7878 ± 0.0014 Å
• c: 20.0657 ± 0.0018 Å
• α: 81.958 ± 0.005°
• β: 83.676 ± 0.005°
• γ: 83.412 ± 0.006°
• Cell volume: 3513.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No