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Information card for entry 2206900
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| Coordinates | 2206900.cif |
|---|---|
| Structure factors | 2206900.hkl |
| Original IUCr paper | HTML |
| Chemical name | {1-[2-(Dimethylamino)ethyliminomethyl]-2-naphthalato}thiocyanatonickel(II) |
|---|---|
| Formula | C16 H17 N3 Ni O S |
| Calculated formula | C16 H17 N3 Ni O S |
| SMILES | [Ni]12([N](=Cc3c(O1)ccc1ccccc31)CC[N]2(C)C)N=C=S |
| Title of publication | {1-[2-(Dimethylamino)ethyliminomethyl]-2-naphtholato}thiocyanatonickel(II) |
| Authors of publication | You, Zhong-Lu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | m1963 - m1964 |
| a | 8.413 ± 0.002 Å |
| b | 6.167 ± 0.002 Å |
| c | 30.683 ± 0.006 Å |
| α | 90° |
| β | 93.04 ± 0.03° |
| γ | 90° |
| Cell volume | 1589.7 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1219 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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