Information card for entry 4310211

Structure parameters

• Chemical name: [3,5-di(2-pyridyl)toluene]platinum(II) chloride
• Formula: C17 H13 Cl N2 Pt
• Calculated formula: C17 H13 Cl N2 Pt
• SMILES: [Pt]12(c3c(c4[n]1cccc4)cc(cc3c1[n]2cccc1)C)Cl
• Title of publication: Controlling Emission Energy, Self-Quenching, and Excimer Formation in Highly Luminescent N^C^N-Coordinated Platinum(II) Complexes
• Authors of publication: Sarah J. Farley; David L. Rochester; Amber L. Thompson; Judith A. K. Howard; J. A. Gareth Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9690 - 9703
• a: 17.2404 ± 0.0007 Å
• b: 9.0397 ± 0.0004 Å
• c: 18.7208 ± 0.0008 Å
• α: 90°
• β: 94.476 ± 0.001°
• γ: 90°
• Cell volume: 2908.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No