Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572280
Preview
| Coordinates | 1572280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | WJS-5 |
|---|---|
| Formula | C159 H180 B4 Cl4 N8 |
| Calculated formula | C159 H180 B4 Cl4 N8 |
| 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 | 10.1202 ± 0.0005 Å |
| b | 17.0454 ± 0.0008 Å |
| c | 19.6957 ± 0.0011 Å |
| α | 95.587 ± 0.004° |
| β | 96.221 ± 0.004° |
| γ | 90.244 ± 0.004° |
| Cell volume | 3361.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1572280.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. |
1572280.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.