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Information card for entry 4505749
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| Coordinates | 4505749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HNMe3, Ni(mnt)2 |
|---|---|
| Chemical name | Trimethylammonium, bis(dicyanoethylene-1,2-dithiolato)nickelate ethanol solvate |
| Formula | C11.8 H12 N5 Ni O0.4 S4 |
| Calculated formula | C11.8 H12 N5 Ni O0.4 S4 |
| Title of publication | Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes |
| Authors of publication | Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2003 |
| Journal volume | 3 |
| Journal issue | 5 |
| Pages of publication | 805 |
| a | 11.4302 ± 0.0015 Å |
| b | 13.7495 ± 0.0014 Å |
| c | 15.4235 ± 0.0017 Å |
| α | 86.097 ± 0.013° |
| β | 80.736 ± 0.014° |
| γ | 70.242 ± 0.014° |
| Cell volume | 2251.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.681 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4505749.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505749.cif |
| 53734 | 2012-04-20 | cif/ Adding structures of 4505748, 4505749, 4505750, 4505751, 4505752 via cif-deposit CGI script. |
4505749.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.