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Information card for entry 2241574
Preview
| Coordinates | 2241574.cif |
|---|---|
| Structure factors | 2241574.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquatris(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(sulfato-κ<i>O</i>)nickel(II) |
|---|---|
| Formula | C15 H28 N6 Ni O6 S |
| Calculated formula | C15 H28 N6 Ni O6 S |
| Title of publication | Crystal structure of diaquatris(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(sulfato-κ<i>O</i>)nickel(II) |
| Authors of publication | Holczbauer, Tamas; Domjan, Attila; Fodor, Csaba |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 374 - 377 |
| a | 12.0252 ± 0.0013 Å |
| b | 14.3481 ± 0.0015 Å |
| c | 15.3502 ± 0.0011 Å |
| α | 90° |
| β | 128.98 ± 0.005° |
| γ | 90° |
| Cell volume | 2058.9 ± 0.4 Å3 |
| Cell temperature | 131 ± 2 K |
| Ambient diffraction temperature | 131 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241574.cif 2241574.hkl |
| 176805 | 2016-02-21 | cif/ hkl/ Adding structures of 2241574 via cif-deposit CGI script. |
2241574.cif 2241574.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.