Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574582
Preview
| Coordinates | 1574582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H88 Cl3 N8 O3 Re |
|---|---|
| Calculated formula | C98 H88 Cl3 N8 O3 Re |
| Title of publication | Rhenium coordination-induced conformational modulation in nitrogen-doped nanographene |
| Authors of publication | Varghese, Eldhose V.; Liu, Yi-Hung; Chen, Hsing-Yin; Li, Chien-Hung; Chen, Chia-Hsiang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 24.578 ± 0.0007 Å |
| b | 35.7337 ± 0.0009 Å |
| c | 21.4113 ± 0.0006 Å |
| α | 90° |
| β | 102.624 ± 0.0014° |
| γ | 90° |
| Cell volume | 18350.2 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1594 |
| Weighted residual factors for all reflections included in the refinement | 0.1799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299545 (current) | 2025-05-07 | cif/ Adding structures of 1574581, 1574582 via cif-deposit CGI script. |
1574582.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.