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Information card for entry 2238198
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| Coordinates | 2238198.cif |
|---|---|
| Structure factors | 2238198.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49) |
|---|---|
| Formula | C69.61958 H85.3617 Mn6 N16.61958 O23.87106 |
| Calculated formula | C69.62 H85.362 Mn6 N16.62 O23.871 |
| Title of publication | μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49) |
| Authors of publication | Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m393 - m394 |
| a | 12.4181 ± 0.0008 Å |
| b | 17.0108 ± 0.0011 Å |
| c | 20.6627 ± 0.0013 Å |
| α | 102.166 ± 0.004° |
| β | 96.726 ± 0.004° |
| γ | 107.496 ± 0.004° |
| Cell volume | 3992.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.138 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.194 |
| Weighted residual factors for all reflections included in the refinement | 0.2319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/81. |
2238198.cif 2238198.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238198.cif 2238198.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238198.cif 2238198.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238198.cif 2238198.hkl |
| 87445 | 2013-08-27 | cif/ Adding structures of 2238198 via cif-deposit CGI script. |
2238198.cif |
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