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Information card for entry 2243396
Preview
| Coordinates | 2243396.cif |
|---|---|
| Structure factors | 2243396.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tetra-μ-aqua-tris(μ-3-chlorobenzoato)(dimethylformamide)tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentamanganese(III)sodium(I) dimethylformamide tetraolvate 0.72-hydrate |
|---|---|
| Formula | C64 H72.44 Cl3 Mn5 N9 Na O27.72 |
| Calculated formula | C64 H72.436 Cl3 Mn5 N9 Na O27.718 |
| 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 | 14.1955 ± 0.0009 Å |
| b | 16.3349 ± 0.0011 Å |
| c | 16.6144 ± 0.001 Å |
| α | 90° |
| β | 94.235 ± 0.002° |
| γ | 90° |
| Cell volume | 3842.1 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2243396.cif 2243396.hkl |
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Users of the data should acknowledge the original authors of the
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