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Information card for entry 7250664
Preview
| Coordinates | 7250664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57.8 H52.8 Br2 Cl2.39 N4 O11 |
|---|---|
| Calculated formula | C57.795 H52.795 Br2 Cl2.385 N4 O11 |
| 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 | 9.7752 ± 0.001 Å |
| b | 11.4458 ± 0.0012 Å |
| c | 24.731 ± 0.003 Å |
| α | 94.352 ± 0.003° |
| β | 93.154 ± 0.003° |
| γ | 108.044 ± 0.003° |
| Cell volume | 2614.3 ± 0.5 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 | 0.0357 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
7250664.cif |
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Users of the data should acknowledge the original authors of the
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