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Information card for entry 7016684
Preview
| Coordinates | 7016684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H20 Cl Co N4 O8 |
|---|---|
| Calculated formula | C17 H20 Cl Co N4 O8 |
| SMILES | [Co]1234(OC(=O)C[N]1(Cc1[n]3cccc1)CC[NH]2C)OC(=O)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Switching on oxygen activation by cobalt complexes of pentadentate ligands. |
| Authors of publication | Vad, Mads S.; Nielsen, Anne; Lennartson, Anders; Bond, Andrew D.; McGrady, John E.; McKenzie, Christine J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 40 |
| Pages of publication | 10698 - 10707 |
| a | 10.1794 ± 0.0003 Å |
| b | 17.2327 ± 0.0006 Å |
| c | 11.5761 ± 0.0004 Å |
| α | 90° |
| β | 105.851 ± 0.001° |
| γ | 90° |
| Cell volume | 1953.45 ± 0.11 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7016684.cif |
| 179870 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/66. |
7016684.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016684.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016684.cif |
| 28048 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016681, 7016682, 7016683, 7016684, 7016685 via cif-deposit CGI script. |
7016684.cif |
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