Information card for entry 4326039

Structure parameters

• Formula: C26 H18 Cl N3 Pt
• Calculated formula: C26 H18 Cl N3 Pt
• SMILES: [Pt]12(c3c(cccc3c3ccc4ccccc4[n]23)N(c2cccc[n]12)c1ccccc1)Cl
• Title of publication: Highly Luminescent Tridentate N^C*N Platinum(II) Complexes Featured in Fused Five-Six-Membered Metallacycle and Diminishing Concentration Quenching
• Authors of publication: Dileep A. K. Vezzu; Deepak Ravindranathan; Alexander W. Garner; Libero Bartolotti; Meredith E. Smith; Paul D. Boyle; Shouquan Huo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8261 - 8273
• a: 10.1051 ± 0.0001 Å
• b: 12.6124 ± 0.0002 Å
• c: 17.3747 ± 0.0002 Å
• α: 90°
• β: 113.671 ± 0.0006°
• γ: 90°
• Cell volume: 2028.09 ± 0.05 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No