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Information card for entry 4341545
Preview
| Coordinates | 4341545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H83 Co3 N13 O20 |
|---|---|
| Calculated formula | C64 H83 Co3 N13 O20 |
| SMILES | [Co]12345[O]6[Co]7([O]3c3c(C8N([O]2[Co]2([O]1c1c(C9N6C(C)(C)C(C)(C)[NH+]=9)cc(cc1)N(=O)=O)([O]=C(O4)C(C)(C)C)[N]1C(C)(C)C(C)(C)[N](=O)C=1c1c(O2)ccc(N(=O)=O)c1)C(C)(C)C(C)(C)[NH+]=8)cc(cc3)N(=O)=O)([O]=C(O5)C(C)(C)C)[N]1C(C)(C)C(C)(C)[N](=O)C=1c1c(O7)ccc(N(=O)=O)c1.C(#N)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 | 15.8223 ± 0.0006 Å |
| b | 21.6118 ± 0.0007 Å |
| c | 23.5869 ± 0.0007 Å |
| α | 90° |
| β | 101.225 ± 0.002° |
| γ | 90° |
| Cell volume | 7911.2 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1342 |
| Residual factor for significantly intense reflections | 0.0837 |
| Weighted residual factors for significantly intense reflections | 0.223 |
| Weighted residual factors for all reflections included in the refinement | 0.24 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4341545.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. |
4341545.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. |
4341545.cif |
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Users of the data should acknowledge the original authors of the
structural data.