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Information card for entry 1519222
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| Coordinates | 1519222.cif |
|---|
| Formula | C12 H28 Cl2 Co N2 O4 |
|---|---|
| Calculated formula | C12 H30 Cl2 Co N2 O4 |
| SMILES | [Co](Cl)(Cl)([NH2]CC(OCC)OCC)[NH2]CC(OCC)OCC |
| Title of publication | C12H28Cl2CoN2O4 |
| Authors of publication | Kelly, Dave G.; Gelbrich, Thomas; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1999 |
| Pages of publication | 808 |
| a | 14.0554 ± 0.0004 Å |
| b | 14.0554 ± 0.0004 Å |
| c | 9.5929 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1895.12 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519222.cif |
| 135540 | 2015-05-05 | cif/ Adding structures of 1519222 via cif-deposit CGI script. |
1519222.cif |
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Users of the data should acknowledge the original authors of the
structural data.