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Information card for entry 3500027
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| Coordinates | 3500027.cif |
|---|---|
| Structure factors | 3500027.hkl |
| Chemical name | mer-Tri(ammine)tri(nitrito-N)cobalt(III) |
|---|---|
| Formula | Co H9 N6 O6 |
| Calculated formula | Co H9 N6 O6 |
| SMILES | [Co](N(=O)=O)(N(=O)=O)(N(=O)=O)([NH3])([NH3])[NH3] |
| Title of publication | Redetermination of mer-[Co(NH3)3(NO2)3] |
| Authors of publication | Miguel Quirós |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 6.8358 ± 0.0003 Å |
| b | 10.0116 ± 0.0006 Å |
| c | 11.6421 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 796.75 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.0544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181860 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 7. |
3500027.cif 3500027.hkl |
| 176658 | 2016-02-17 | cif/ hkl/ Adding structures of 3500027 via cif-deposit CGI script. |
3500027.cif 3500027.hkl |
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Users of the data should acknowledge the original authors of the
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