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Information card for entry 2241439
Preview
| Coordinates | 2241439.cif |
|---|---|
| Structure factors | 2241439.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate |
|---|---|
| Formula | C18 H44 Cl3 Co N6 O |
| Calculated formula | C18 H44 Cl3 Co N6 O |
| Title of publication | Crystal structure of tris(<i>trans</i>-1,2-diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>')cobalt(III) trichloride monohydrate |
| Authors of publication | Gallagher, Megan K.; Oliver, Allen G.; Lappin, A. Graham |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 49 - 52 |
| a | 18.7857 ± 0.0014 Å |
| b | 18.7857 ± 0.0014 Å |
| c | 13.8572 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4890.2 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241439.cif 2241439.hkl |
| 189124 | 2016-12-14 | cif/2 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms. |
2241439.cif 2241439.hkl |
| 181915 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241439.cif 2241439.hkl |
| 176654 | 2016-02-17 | cif/ Updating files of 2241439 Original log message: Adding full bibliography for 2241439.cif. |
2241439.cif 2241439.hkl |
| 176601 | 2016-02-17 | cif/ Updating files of 2241439 Original log message: Adding full bibliography for 2241439.cif. |
2241439.cif 2241439.hkl |
| 171650 | 2015-12-20 | cif/ hkl/ Adding structures of 2241439 via cif-deposit CGI script. |
2241439.cif 2241439.hkl |
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Users of the data should acknowledge the original authors of the
structural data.