Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022577
Preview
| Coordinates | 2022577.cif |
|---|---|
| Structure factors | 2022577.hkl |
| Original IUCr paper | HTML |
| Common name | compound (I) |
|---|---|
| Chemical name | <i>catena</i>-Poly[[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-2,3-bis(benzoyloxy)butanedioato-κ^2^<i>O</i>^2^:<i>O</i>^3^] dihydrate] |
| Formula | C28 H28 Mn N2 O12 |
| Calculated formula | C28 H28 Mn N2 O12 |
| Title of publication | Synthesis, crystal structure and magnetic properties of a one-dimensional Mn^2+^ complex constructed from (+)-dibenzoyltartaric acid and 2,2'-bipyridine |
| Authors of publication | Jiao, Yuan; Jin, Fu-Ning; Feng, Si-Si; Wang, Ai; Englert, Ulli |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 11 |
| Pages of publication | 707 - 712 |
| a | 7.86 ± 0.0016 Å |
| b | 16.233 ± 0.0009 Å |
| c | 23.103 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2947.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.75 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273084 (current) | 2022-02-22 | cif/ hkl/ Adding structures of 2022577 via cif-deposit CGI script. |
2022577.cif 2022577.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.