Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250583
Preview
| Coordinates | 7250583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C111 H109 Mn6 N15 O35 |
|---|---|
| Calculated formula | C111 H109 Mn6 N15 O35 |
| Title of publication | Construction of Novel Mn-based Metal-Organic Frameworks for Regioselective Cross-Dehydrogenative Coupling of Coumarins and Dimethylanilines |
| Authors of publication | Sun, Qing; Yang, Chen; Han, Shaoyang; Liu, Xin; Li, Meichao; Shen, Zhenlu |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 14.2545 ± 0.0007 Å |
| b | 18.04 ± 0.0008 Å |
| c | 30.3498 ± 0.0014 Å |
| α | 91.749 ± 0.003° |
| β | 96.795 ± 0.003° |
| γ | 100.827 ± 0.003° |
| Cell volume | 7600.6 ± 0.6 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 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 | 0.1151 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.2722 |
| Weighted residual factors for all reflections included in the refinement | 0.2907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300175 (current) | 2025-06-25 | cif/ Adding structures of 7250583 via cif-deposit CGI script. |
7250583.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.