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Information card for entry 7010382
Preview
| Coordinates | 7010382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H20 Cl Co N4 O8 |
|---|---|
| Calculated formula | C10 H20 Cl Co N4 O8 |
| SMILES | [Co]1234(OC(=O)C(=O)O1)[NH]1CC[NH]4CC[NH]2CC[NH]3CC1.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Preparation, structures and reactions of isomeric [Co(cyclen)(O2C2O2)]+ and [Co(cyclen)(O2CCH2CO2)]+ complexes (cyclen = 1,4,7,10-tetraazacyclododecane) † |
| Authors of publication | Clarkson, Andrea J.; Blackman, Allan G.; Clark, Charles R. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 5 |
| Pages of publication | 758 |
| a | 7.406 ± 0.004 Å |
| b | 8.61 ± 0.005 Å |
| c | 14.305 ± 0.01 Å |
| α | 77.85 ± 0.018° |
| β | 86.805 ± 0.018° |
| γ | 68.773 ± 0.011° |
| Cell volume | 831 ± 0.9 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 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 | 0.0513 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1412 |
| Weighted residual factors for all reflections included in the refinement | 0.1453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| 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. |
7010382.cif |
| 179807 | 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 7/01/03. |
7010382.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010382.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010382.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010382.cif |
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Users of the data should acknowledge the original authors of the
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