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Information card for entry 4075549
Preview
| Coordinates | 4075549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-napthyl-Co(dmgH)2Py |
|---|---|
| Chemical name | 2-Napthyl-bis(dimethylglyoximeto)(pyridine)cobalt(III) |
| Formula | C24 H28 Co N5 O4 |
| Calculated formula | C24 H28 Co N5 O4 |
| SMILES | [Co]12([N](O)=C(C(=N1=O)C)C)([N](O)=C(C(=N2=O)C)C)([n]1ccccc1)Cc1ccc2c(c1)cccc2 |
| Title of publication | Hindered Rotation Leading to Nonequivalence in Cobaloximes |
| Authors of publication | Mandal, Debaprasad; Gupta, B. D. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 14 |
| Pages of publication | 3305 |
| a | 10.0739 ± 0.0014 Å |
| b | 11.3738 ± 0.0016 Å |
| c | 12.1513 ± 0.0017 Å |
| α | 110.607 ± 0.002° |
| β | 100.011 ± 0.002° |
| γ | 109.289 ± 0.002° |
| Cell volume | 1161.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1147 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.2085 |
| Weighted residual factors for all reflections included in the refinement | 0.2241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.