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Information card for entry 2241964
Preview
| Coordinates | 2241964.cif |
|---|---|
| Structure factors | 2241964.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate |
|---|---|
| Formula | C70 H126 Cl6 Fe6 N8 O35 S13 |
| Calculated formula | C70 H126 Cl6 Fe6 N8 O35 S13 |
| Title of publication | Crystal structure of bis(bis{μ~3~-3-methyl-3-[(4-nitro-2-oxidobenzylidene)amino]propane-1,3-diolato}tris[chlorido(dimethyl sulfoxide)iron(III)]) dimethyl sulfoxide heptasolvate dihydrate |
| Authors of publication | Chygorin, Eduard; Smal, Yuri; Omelchenko, Irina V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1848 - 1851 |
| a | 11.4286 ± 0.0007 Å |
| b | 12.7227 ± 0.0008 Å |
| c | 20.1915 ± 0.0012 Å |
| α | 94.005 ± 0.005° |
| β | 105.839 ± 0.006° |
| γ | 103.952 ± 0.006° |
| Cell volume | 2712 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1824 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188750 (current) | 2016-11-30 | cif/ hkl/ Adding structures of 2241964 via cif-deposit CGI script. |
2241964.cif 2241964.hkl |
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Users of the data should acknowledge the original authors of the
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