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Information card for entry 7250667
Preview
| Coordinates | 7250667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H58 Br2 N4 O12 |
|---|---|
| Calculated formula | C60 H58 Br2 N4 O12 |
| 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 |
| Journal volume | 27 |
| Journal issue | 29 |
| Pages of publication | 5003 - 5009 |
| a | 9.7166 ± 0.0006 Å |
| b | 11.3692 ± 0.0007 Å |
| c | 24.7966 ± 0.0016 Å |
| α | 94.639 ± 0.002° |
| β | 92.734 ± 0.002° |
| γ | 107.934 ± 0.002° |
| Cell volume | 2590 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0261 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301558 (current) | 2025-08-06 | cif/ Updating files of 7250664, 7250665, 7250666, 7250667, 7250668, 7250669 Original log message: Adding full bibliography for 7250664--7250669.cif. |
7250667.cif |
| 301217 | 2025-07-11 | cif/ Adding structures of 7250664, 7250665, 7250666, 7250667, 7250668, 7250669 via cif-deposit CGI script. |
7250667.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.