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Information card for entry 2240837
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| Coordinates | 2240837.cif |
|---|---|
| Structure factors | 2240837.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis(2-chloropyrazine-κ<i>N</i>^4^)iron(II) bis(4-methylbenxenesulfonate) |
|---|---|
| Formula | C22 H28 Cl2 Fe N4 O10 S2 |
| Calculated formula | C22 H28 Cl2 Fe N4 O10 S2 |
| Title of publication | Crystal structure of high-spin tetraaquabis(2-chloropyrazine-κ<i>N</i>^4^)iron(II) bis(4-methylbenzenesulfonate) |
| Authors of publication | Golub, Bohdan O.; Shylin, Sergii I.; Dechert, Sebastian; Malysheva, Maria L.; Gural`skiy, Il`ya A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | 776 - 778 |
| a | 30.691 ± 0.003 Å |
| b | 6.7321 ± 0.0003 Å |
| c | 6.9435 ± 0.0006 Å |
| α | 90° |
| β | 99.811 ± 0.007° |
| γ | 90° |
| Cell volume | 1413.6 ± 0.2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133.15 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240837.cif 2240837.hkl |
| 139205 | 2015-06-14 | cif/ hkl/ Adding structures of 2240837 via cif-deposit CGI script. |
2240837.cif 2240837.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.