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Information card for entry 4125980
Preview
Coordinates | 4125980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74.5 H69.5 B0.5 F2 N5 O1.5 |
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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 Å3 |
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 |
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