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Information card for entry 2241584
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| Coordinates | 2241584.cif |
|---|---|
| Structure factors | 2241584.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate |
|---|---|
| Formula | C7 H20 Cl3 Cr N4 O4 |
| Calculated formula | C7 H20 Cl3 Cr N4 O4 |
| SMILES | [Cr]123(Cl)(Cl)[NH2]CC[NH]1CCC[NH]2CC[NH2]3.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Crystal structure of <i>trans</i>-dichlorido(1,4,8,11-tetraazaundecane-κ^4^<i>N</i>)chromium(III) perchlorate determined 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 | 3 |
| Pages of publication | 424 - 427 |
| a | 6.473 ± 0.0013 Å |
| b | 11.449 ± 0.002 Å |
| c | 10.385 ± 0.002 Å |
| α | 90° |
| β | 102.42 ± 0.03° |
| γ | 90° |
| Cell volume | 751.6 ± 0.3 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0279 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
2241584.cif 2241584.hkl |
| 176880 | 2016-02-25 | cif/ hkl/ Adding structures of 2241584 via cif-deposit CGI script. |
2241584.cif 2241584.hkl |
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Users of the data should acknowledge the original authors of the
structural data.