Information card for entry 4132573

Structure parameters

• Formula: C19 H17 B F2 I2 N2
• Calculated formula: C19 H17 B F2 I2 N2
• SMILES: Ic1c(n2c(c1C)C(=c1[n](c(c(I)c1C)C)[B]2(F)F)c1ccccc1)C
• Title of publication: Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.
• Authors of publication: Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7730 - 7736
• a: 11.4365 ± 0.0004 Å
• b: 12.9084 ± 0.0005 Å
• c: 13.2216 ± 0.0005 Å
• α: 90°
• β: 90.809 ± 0.0012°
• γ: 90°
• Cell volume: 1951.67 ± 0.13 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No