Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243395
Preview
| Coordinates | 2243395.cif |
|---|---|
| Structure factors | 2243395.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-3-chlorobenzoato)hexakis(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium(I) |
|---|---|
| Formula | C60 H66.01 Cl2 Mn4 N10 Na2 O22 |
| Calculated formula | C60.0048 H66.0112 Cl2 Mn4 N10.0016 Na2 O22.0016 |
| Title of publication | Synthesis and crystal structure of two manganese-based 12-metallacrown-4 complexes: Na~2~(3-chlorobenzoate)~2~[12-MC~Mn(III)N(shi)~-4](DMF)~6~ and MnNa(3-chlorobenzoate)~3~[12-MC~Mn(III)N(shi)~-4](DMF)(H~2~O)~4~·4DMF·0.72H~2~O |
| Authors of publication | Zaleski, Curtis M.; Zeller, Matthias |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 848 - 856 |
| a | 12.0423 ± 0.0008 Å |
| b | 12.3722 ± 0.0008 Å |
| c | 12.6875 ± 0.0009 Å |
| α | 102.839 ± 0.003° |
| β | 111.628 ± 0.003° |
| γ | 90.722 ± 0.004° |
| Cell volume | 1704 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252206 (current) | 2020-05-20 | cif/ hkl/ Adding structures of 2243395, 2243396 via cif-deposit CGI script. |
2243395.cif 2243395.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.