Information card for entry 1572286
| Formula |
C50 H58 B2 Cl4 F12 N8 O8 S4 |
| Calculated formula |
C50 H58 B2 Cl4 F12 N8 O8 S4 |
| Title of publication |
Pentacyclic Fused Diborepinium Ions with Carbene- and Carbone-Mediated Deep-Blue to Red Emission |
| Authors of publication |
Hollister, Kimberly; Molino, Andrew; Le, VuongVy Vu; Jones, Nula; Smith, Wyatt; Mueller, Peter; Dickie, Diane Amanda; Wilson, David John; Gilliard, Robert J. |
| Journal of publication |
Chemical Science |
| Year of publication |
2024 |
| a |
8.9168 ± 0.0004 Å |
| b |
9.3168 ± 0.0004 Å |
| c |
18.6398 ± 0.0007 Å |
| α |
96.753 ± 0.001° |
| β |
92.366 ± 0.001° |
| γ |
95.831 ± 0.001° |
| Cell volume |
1527.6 ± 0.11 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.087 |
| Residual factor for significantly intense reflections |
0.0809 |
| Weighted residual factors for significantly intense reflections |
0.2826 |
| Weighted residual factors for all reflections included in the refinement |
0.2909 |
| Goodness-of-fit parameter for all reflections included in the refinement |
2.583 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1572286.html
