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Information card for entry 2243377
Preview
| Coordinates | 2243377.cif |
|---|---|
| Structure factors | 2243377.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate |
|---|---|
| Formula | C43 H55 Cu5 Mn N9 O19 |
| Calculated formula | C43 H55 Cu5 Mn N9 O19 |
| Title of publication | Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: <i>cis</i>-diaquatetrakis(dimethylformamide-κ<i>O</i>)manganese(II) tetrakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidate)pentacopper(II) dimethylformamide monosolvate |
| Authors of publication | Van Trieste III, Gerard P.; Zeller, Matthias; Zaleski, Curtis M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| Pages of publication | 747 - 751 |
| a | 19.0669 ± 0.0009 Å |
| b | 14.2943 ± 0.0006 Å |
| c | 19.345 ± 0.0008 Å |
| α | 90° |
| β | 95.1476 ± 0.0018° |
| γ | 90° |
| Cell volume | 5251.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1115 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251356 (current) | 2020-05-01 | cif/ hkl/ Adding structures of 2243377 via cif-deposit CGI script. |
2243377.cif 2243377.hkl |
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Users of the data should acknowledge the original authors of the
structural data.