Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250668
Preview
| Coordinates | 7250668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C103.5 H93.75 Br2 Cl9.75 N8 O16.75 |
|---|---|
| Calculated formula | C103.5 H93.75 Br2 Cl9.75 N8 O16.75 |
| Title of publication | Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange |
| Authors of publication | Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 9.59 ± 0.002 Å |
| b | 15.202 ± 0.004 Å |
| c | 18.069 ± 0.003 Å |
| α | 107.935 ± 0.014° |
| β | 95.42 ± 0.014° |
| γ | 92.865 ± 0.017° |
| Cell volume | 2486.3 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1358 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301217 (current) | 2025-07-11 | cif/ Adding structures of 7250664, 7250665, 7250666, 7250667, 7250668, 7250669 via cif-deposit CGI script. |
7250668.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.