Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243406
Preview
| Coordinates | 2243406.cif |
|---|---|
| Structure factors | 2243406.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis(μ~3~-3,4-diaminobenzoato-κ^3^<i>N</i>^3^,<i>O</i>,<i>O</i>')manganese(II)] |
|---|---|
| Formula | C14 H14 Mn N4 O4 |
| Calculated formula | C14 H14 Mn N4 O4 |
| Title of publication | Hydrothermal synthesis and crystal structure of poly[bis(μ~3~-3,4-diaminobenzoato)manganese], a layered coordination polymer |
| Authors of publication | Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 909 - 913 |
| a | 11.5171 ± 0.0005 Å |
| b | 4.4212 ± 0.0002 Å |
| c | 13.9752 ± 0.0007 Å |
| α | 90° |
| β | 104.698 ± 0.003° |
| γ | 90° |
| Cell volume | 688.32 ± 0.06 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0423 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252320 (current) | 2020-05-23 | cif/ hkl/ Adding structures of 2243406 via cif-deposit CGI script. |
2243406.cif 2243406.hkl |
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.