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Information card for entry 4341550
Preview
| Coordinates | 4341550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H52 Fe N9 O13 |
|---|---|
| Calculated formula | C42 H52 Fe N9 O13 |
| SMILES | [Fe]123(ON4C(C([NH+]=C4c4c(O1)ccc(N(=O)=O)c4)(C)C)(C)C)([N]1C(C)(C)C(C)(C)[N](=O)C=1c1c(O2)ccc(N(=O)=O)c1)[N]1C(C)(C)C(C)(C)[N](=O)C=1c1c(O3)ccc(N(=O)=O)c1.O=C(C)C |
| Title of publication | Redox-induced change in the ligand coordination mode. |
| Authors of publication | Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 10033 - 10035 |
| a | 11.942 ± 0.005 Å |
| b | 13.065 ± 0.005 Å |
| c | 15.314 ± 0.006 Å |
| α | 97.76 ± 0.02° |
| β | 97.65 ± 0.03° |
| γ | 102.91 ± 0.03° |
| Cell volume | 2274.4 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1738 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1589 |
| Weighted residual factors for all reflections included in the refinement | 0.2173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341550.cif |
| 179518 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15. |
4341550.cif |
| 126711 | 2014-11-10 | cif/ Adding structures of 4341538, 4341539, 4341540, 4341541, 4341542, 4341543, 4341544, 4341545, 4341546, 4341547, 4341548, 4341549, 4341550, 4341551 via cif-deposit CGI script. |
4341550.cif |
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Users of the data should acknowledge the original authors of the
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