Information card for entry 4316603

Structure parameters

• Formula: C23 H18 Cl3 N3 Pt
• Calculated formula: C23 H18 Cl3 N3 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1c(N(c1[n]2cccc1)c1ccccc1)ccc3)Cl.C(Cl)Cl
• Title of publication: Improvement in Phosphorescence Efficiency through Tuning of Coordination Geometry of Tridentate Cyclometalated Platinum(II) Complexes
• Authors of publication: Deepak Ravindranathan; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8922 - 8928
• a: 10.3427 ± 0.0003 Å
• b: 10.7099 ± 0.0003 Å
• c: 11.3617 ± 0.0003 Å
• α: 62.5123 ± 0.0013°
• β: 69.6114 ± 0.0014°
• γ: 77.6935 ± 0.0016°
• Cell volume: 1044.43 ± 0.05 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0336
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No