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Information card for entry 4116477
Preview
| Coordinates | 4116477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 N4 Ni S6 |
|---|---|
| Calculated formula | C18 H20 N4 Ni0.5 S10 |
| Title of publication | New [M(R,R'timdt)2] Metal-Dithiolenes and Related Compounds (M = Ni, Pd, Pt; R,R'timdt = Monoanion of Disubstituted Imidazolidine-2,4,5-trithiones): An Experimental and Theoretical Investigation |
| Authors of publication | Maria Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Alessandra Garau; Francesco Isaia; Francesco Lelj; Vito Lippolis; Gaetano Verani |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 7098 - 7107 |
| a | 5.723 ± 0.003 Å |
| b | 9.58 ± 0.006 Å |
| c | 9.67 ± 0.006 Å |
| α | 97.79 ± 0.02° |
| β | 104.12 ± 0.02° |
| γ | 91.26 ± 0.02° |
| Cell volume | 508.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 1 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 | 0.107 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Goodness-of-fit parameter for all reflections | 1.076 |
| Goodness-of-fit parameter for significantly intense reflections | 1.388 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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