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Information card for entry 2241595
Preview
| Coordinates | 2241595.cif |
|---|---|
| Structure factors | 2241595.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Diammine(1,4,8,11-tetraazacyclotetradecane-κ<i>N</i>^4^)chromium(III) tetrachloridozincate chloride monohydrate |
|---|---|
| Formula | C10 H32 Cl5 Cr N6 O Zn |
| Calculated formula | C10 H32 Cl5 Cr N6 O Zn |
| Title of publication | Crystal structure of <i>trans</i>-diammine(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) tetrachloridozincate chloride monohydrate from synchrotron data |
| Authors of publication | Moon, Dohyun; Choi, Jong-Ha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 456 - 459 |
| a | 9.398 ± 0.0019 Å |
| b | 14.876 ± 0.003 Å |
| c | 17.981 ± 0.004 Å |
| α | 66.03 ± 0.03° |
| β | 76.03 ± 0.03° |
| γ | 78.74 ± 0.03° |
| Cell volume | 2215.7 ± 1 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.62 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2241595.cif 2241595.hkl |
| 177598 | 2016-03-05 | cif/ hkl/ Adding structures of 2241595 via cif-deposit CGI script. |
2241595.cif 2241595.hkl |
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Users of the data should acknowledge the original authors of the
structural data.