Information card for entry 4310212

Structure parameters

• Common name: dipyridyl benzene
• Chemical name: 1-bromo-3,5-di(2-pyridyl)benzene
• Formula: C16 H11 Br N2
• Calculated formula: C16 H11 Br N2
• SMILES: n1ccccc1c1cc(c2ncccc2)cc(c1)Br
• 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: 4.2243 ± 0.0003 Å
• b: 15.1114 ± 0.001 Å
• c: 20.1874 ± 0.0013 Å
• α: 90°
• β: 91.461 ± 0.001°
• γ: 90°
• Cell volume: 1288.25 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No