Information card for entry 4125980

Structure parameters

• Formula: C74.5 H69.5 B0.5 F2 N5 O1.5
• Calculated formula: C74.5 H69.5 B0.5 F2 N5 O1.5
• Title of publication: Ion-Pair Oligomerization of Chromogenic Triangulenium Cations with Cyanostar-Modified Anions That Controls Emission in Hierarchical Materials.
• Authors of publication: Qiao, Bo; Hirsch, Brandon E.; Lee, Semin; Pink, Maren; Chen, Chun-Hsing; Laursen, Bo W.; Flood, Amar H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 13.9719 ± 0.0007 Å
• b: 14.3789 ± 0.0008 Å
• c: 19.519 ± 0.0009 Å
• α: 111.265 ± 0.001°
• β: 91.6445 ± 0.0011°
• γ: 97.0299 ± 0.0012°
• Cell volume: 3615.6 ± 0.3 ų
• Cell temperature: 260 K
• Ambient diffraction temperature: 260 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2602
• Residual factor for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections: 0.5462
• Weighted residual factors for significantly intense reflections: 0.5081
• Weighted residual factors for all reflections included in the refinement: 0.5459
• Goodness-of-fit parameter for all reflections included in the refinement: 2.0543
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No