Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572286
Preview
| Coordinates | 1572286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 K.; Molino, Andrew; Le, VuongVy V; Jones, Nula; Smith, Wyatt J.; Müller, Peter; Dickie, Diane A.; Wilson, David J. D.; Gilliard, Jr, Robert J |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 35 |
| Pages of publication | 14358 - 14370 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295193 (current) | 2024-10-06 | cif/ Updating files of 1572276, 1572277, 1572278, 1572279, 1572280, 1572281, 1572282, 1572283, 1572284, 1572285, 1572286, 1572287 Original log message: Adding full bibliography for 1572276--1572287.cif. |
1572286.cif |
| 293956 | 2024-08-06 | cif/ Adding structures of 1572276, 1572277, 1572278, 1572279, 1572280, 1572281, 1572282, 1572283, 1572284, 1572285, 1572286, 1572287 via cif-deposit CGI script. |
1572286.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.