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Information card for entry 7227240
Preview
| Coordinates | 7227240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H21 Cl2 Fe N9 O2 |
|---|---|
| Calculated formula | C27 H21 Cl2 Fe N9 O2 |
| SMILES | [Fe]123([n]4c(N(c5ccccc5)[N]3=C(C=[N]2N(c2[n]1cccc2)c1ccccc1)N(=O)=O)cccc4)(C#N)C#N.ClCCl |
| Title of publication | Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand |
| Authors of publication | Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.885 ± 0.004 Å |
| b | 12.712 ± 0.005 Å |
| c | 13.207 ± 0.005 Å |
| α | 94.82 ± 0.02° |
| β | 111.057 ± 0.019° |
| γ | 101.56 ± 0.02° |
| Cell volume | 1495.1 ± 1.1 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 | 0.1668 |
| Residual factor for significantly intense reflections | 0.0988 |
| Weighted residual factors for significantly intense reflections | 0.2669 |
| Weighted residual factors for all reflections included in the refinement | 0.2877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188971 (current) | 2016-12-06 | cif/ Adding structures of 7227239, 7227240 via cif-deposit CGI script. |
7227240.cif |
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Users of the data should acknowledge the original authors of the
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