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Information card for entry 7011830
Preview
| Coordinates | 7011830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C141 H146 B2 Cl6 Co2 N6 O2 |
|---|---|
| Calculated formula | C141 H146 B2 Cl6 Co2 N6 O2 |
| SMILES | [Co]12(Oc3ccccc3)[N](C3CC([N]1=CC=Cc1ccccc1)CC([N]2=CC=Cc1ccccc1)C3)=CC=Cc1ccccc1.ClCCl.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCCC1.C1CCCCC1 |
| Title of publication | Preparation of cationic cobalt phenoxide and ethoxide complexes and their reversible reaction with carbon dioxide |
| Authors of publication | Archibald, Stephen J.; Foxon, Simon P.; Freeman, Jonathan D.; Hobson, James E.; Perutz, Robin N.; Walton, Paul H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 14 |
| Pages of publication | 2797 |
| a | 18.31 ± 0.03 Å |
| b | 22.022 ± 0.011 Å |
| c | 17.219 ± 0.006 Å |
| α | 98.97 ± 0.04° |
| β | 92.61 ± 0.07° |
| γ | 67.78 ± 0.05° |
| Cell volume | 6348 ± 11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1879 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1652 |
| Weighted residual factors for all reflections included in the refinement | 0.2534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011830.cif |
| 179822 | 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 7/01/18. |
7011830.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011830.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011830.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011830.cif |
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