Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106902
Preview
| Coordinates | 8106902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H36 Mn N4 O9 |
|---|---|
| Calculated formula | C42 H36 Mn N4 O9 |
| Title of publication | Crystal structure of catena-[aqua((4-carboxyphenyl)acetato-κO)(μ2-(4-carboxyphenyl)acetato-κ2 O:O′)bis(4,4′-ethene-1,2-diyldipyridine-κN)manganese(II)], C42H36N4O9Mn |
| Authors of publication | Wei-Dong, Yin; Gui-Lian, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 441 - 444 |
| a | 9.6432 ± 0.001 Å |
| b | 8.8336 ± 0.001 Å |
| c | 42.379 ± 0.005 Å |
| α | 90° |
| β | 92.053 ± 0.001° |
| γ | 90° |
| Cell volume | 3607.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281775 (current) | 2023-03-09 | cif/ Adding structures of 8106902 via cif-deposit CGI script. |
8106902.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.