Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250311
Preview
| Coordinates | 7250311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 N12 O2 |
|---|---|
| Calculated formula | C36 H36 N12 O2 |
| Title of publication | Diverse tetracyanodihydrodipyradinopyradine clathrate crystals assembled from weak intermolecular interactions |
| Authors of publication | Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 9.0545 ± 0.0002 Å |
| b | 12.3215 ± 0.0003 Å |
| c | 16.3699 ± 0.0003 Å |
| α | 90° |
| β | 92.908 ± 0.002° |
| γ | 90° |
| Cell volume | 1823.96 ± 0.07 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0606 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1458 |
| Weighted residual factors for all reflections included in the refinement | 0.1565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299375 (current) | 2025-04-24 | cif/ Adding structures of 7250300, 7250301, 7250302, 7250303, 7250304, 7250305, 7250306, 7250307, 7250308, 7250309, 7250310, 7250311, 7250312, 7250313, 7250314, 7250315, 7250316 via cif-deposit CGI script. |
7250311.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.