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Information card for entry 4308219
Preview
| Coordinates | 4308219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H34 Fe N3 O4 P2 S |
|---|---|
| Calculated formula | C43 H34 Fe N3 O4 P2 S |
| SMILES | [Fe]1(Sc2ccccc2C(=O)O1)(N=O)N=O.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Dinitrosyl Iron Complexes (DNICs) Containing S/N/O Ligation: Transformation of Roussin's Red Ester into the Neutral {Fe(NO)2}10DNICs |
| Authors of publication | Ming-Li Tsai; Chung-Hung Hsieh; Wen-Feng Liaw |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 5110 - 5117 |
| a | 9.2711 ± 0.0005 Å |
| b | 21.5461 ± 0.001 Å |
| c | 19.6333 ± 0.001 Å |
| α | 90° |
| β | 101.753 ± 0.001° |
| γ | 90° |
| Cell volume | 3839.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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