Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7719681
Preview
| Coordinates | 7719681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C130 H95 B6 Cl4 N10 O6 |
|---|---|
| Calculated formula | C128 H91 B6 N10 O6 |
| Title of publication | Imidazo[1,5]carbachlorin as a hybrid ligand |
| Authors of publication | Szydełko, Kinga; Koniarz, Sebastian; Bialek, Michał J; Chmielewski, Piotr Jan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 17.828 ± 0.0003 Å |
| b | 17.8484 ± 0.00018 Å |
| c | 18.3446 ± 0.0002 Å |
| α | 73.528 ± 0.001° |
| β | 71.5735 ± 0.0012° |
| γ | 88.9914 ± 0.0011° |
| Cell volume | 5294.04 ± 0.13 Å3 |
| Cell temperature | 99.99 ± 0.17 K |
| Ambient diffraction temperature | 99.99 ± 0.17 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1328 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302959 (current) | 2025-10-18 | cif/ Adding structures of 7719677, 7719678, 7719679, 7719680, 7719681 via cif-deposit CGI script. |
7719681.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.