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Information card for entry 4075767
Preview
| Coordinates | 4075767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CpCoNSNS |
|---|---|
| Formula | C5 H5 Co N2 S2 |
| Calculated formula | C5 H5 Co N2 S2 |
| SMILES | [Co]12345(N=S=NS1)[cH]1[cH]5[cH]4[cH]3[CH]21 |
| Title of publication | Structure, Bonding, and Reactivity of the Organometallic 1,3,2,4-Dithiadiazole Complex CpCoS2N2 |
| Authors of publication | Van Droogenbroeck, Joris; Van Alsenoy, Christian; Aucott, Stephen M.; Woollins, J. Derek; Hunter, Allen D.; Blockhuys, Frank |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 5 |
| Pages of publication | 1004 |
| a | 5.8192 ± 0.0015 Å |
| b | 17.67 ± 0.006 Å |
| c | 7.2905 ± 0.0019 Å |
| α | 90° |
| β | 105.236 ± 0.013° |
| γ | 90° |
| Cell volume | 723.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0216 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178646 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/57. |
4075767.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075767.cif |
| 50659 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075767 via cif-deposit CGI script. |
4075767.cif |
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Users of the data should acknowledge the original authors of the
structural data.