Information card for entry 4132572

Structure parameters

• Formula: C33 H25 B F2 N4
• Calculated formula: C33 H25 B F2 N4
• SMILES: F[B]1(F)[n]2c(c(c(c2=C(c2n1c(c(c2C)C#Cc1ccncc1)C)c1ccccc1)C)C#Cc1ccncc1)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: 6.8589 ± 0.0004 Å
• b: 18.4294 ± 0.0011 Å
• c: 20.7665 ± 0.0012 Å
• α: 90°
• β: 94.9492 ± 0.0019°
• γ: 90°
• Cell volume: 2615.2 ± 0.3 ų
• Cell temperature: 114.44 K
• Ambient diffraction temperature: 114.44 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: 0.08
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No