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Information card for entry 7102633
Preview
| Coordinates | 7102633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C68 H53 B Br Co F20 N4 |
|---|---|
| Calculated formula | C68 H53 B Br Co F20 N4 |
| SMILES | [Co]12([n]3ccccc3)[N](=C(c3[n]1c(C(C)=[N]2c1c(cccc1C(C)C)C(C)C)ccc3)C)c1c(cccc1C(C)C)C(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Brc1ccccc1 |
| Title of publication | Generation of bis(imino)pyridine cobalt(I) cations under metal alkyl free conditions that polymerize ethene |
| Authors of publication | Gerhard Erker; Tobias Blomker; Roland Frohlich; Gerald Kehr; Nina Kleigrewe; Winfried Steffen |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2004 |
| Journal issue | 10 |
| Pages of publication | 1188 - 1189 |
| a | 20.027 ± 0.001 Å |
| b | 12.241 ± 0.001 Å |
| c | 25.895 ± 0.001 Å |
| α | 90° |
| β | 93.75 ± 0.01° |
| γ | 90° |
| Cell volume | 6334.6 ± 0.7 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1081 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7102633.cif |
| 180128 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/26. |
7102633.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7102633.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7102633.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7102633.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
7102633.cif |
| 603 | 2009-03-27 | Adding files from the Chem-Comm-2004/ deposition. |
7102633.cif |
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Users of the data should acknowledge the original authors of the
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