Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7223563
Preview
| Coordinates | 7223563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H9 Cl3 Mn N2 O |
|---|---|
| Calculated formula | C12 H9 Cl3 Mn N2 O |
| Title of publication | The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds |
| Authors of publication | Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 6.8043 ± 0.0008 Å |
| b | 12.7288 ± 0.0013 Å |
| c | 15.384 ± 0.002 Å |
| α | 90° |
| β | 94.851 ± 0.011° |
| γ | 90° |
| Cell volume | 1327.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0825 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171627 (current) | 2015-12-19 | cif/ Adding structures of 7223561, 7223562, 7223563, 7223564 via cif-deposit CGI script. |
7223563.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.