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Information card for entry 7016685
Preview
| Coordinates | 7016685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H25 Cl2 Co N5 O10.5 |
|---|---|
| Calculated formula | C22 H25 Cl2 Co N5 O10.5 |
| SMILES | [Co]12345OC(=O)C[N]2(CC[N]1(Cc1[n]3cccc1)Cc1[n]5cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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 | 17.515 ± 0.0015 Å |
| b | 22.3432 ± 0.0018 Å |
| c | 13.4944 ± 0.0008 Å |
| α | 90° |
| β | 101.22 ± 0.003° |
| γ | 90° |
| Cell volume | 5180 ± 0.7 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1125 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1231 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
7016685.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7016685.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016685.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016685.cif |
| 28048 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016681, 7016682, 7016683, 7016684, 7016685 via cif-deposit CGI script. |
7016685.cif |
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