Information card for entry 4310213

Structure parameters

• Chemical name: 1,3,5-Tri(2-pyridyl)benzene
• Formula: C21 H15 N3
• Calculated formula: C21 H15 N3
• SMILES: n1ccccc1c1cc(c2ncccc2)cc(c2ncccc2)c1
• 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: 8.1963 ± 0.0003 Å
• b: 11.3357 ± 0.0004 Å
• c: 16.0763 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1493.66 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No