Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107185
Preview
| Coordinates | 8107185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H31 Mn N3 O9 |
|---|---|
| Calculated formula | C27 H31 Mn N3 O9 |
| Title of publication | The crystal structure of diaqua-bis(6-phenylpyridine-2-carboxylato-κ2N,O) manganese(II) — water — dimethylformamide (1/2/1), C27H31N3O9Mn |
| Authors of publication | Wang, Li-Hua; Tai, Xi-Shi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 675 - 677 |
| a | 10.8917 ± 0.0009 Å |
| b | 11.2673 ± 0.0016 Å |
| c | 23.077 ± 0.003 Å |
| α | 90° |
| β | 93.319 ± 0.01° |
| γ | 90° |
| Cell volume | 2827.3 ± 0.6 Å3 |
| Cell temperature | 250 ± 0.1 K |
| Ambient diffraction temperature | 250 ± 0.1 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 | 0.1035 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1709 |
| Weighted residual factors for all reflections included in the refinement | 0.1938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283714 (current) | 2023-05-12 | cif/ Adding structures of 8107185 via cif-deposit CGI script. |
8107185.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.