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Information card for entry 7026413
Preview
| Coordinates | 7026413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H27 Cl2 Co N6 O1.5 |
|---|---|
| Calculated formula | C21 H27 Cl2 Co N6 O1.5 |
| Title of publication | The effect of the central donor in bis(benzimidazole)-based cobalt catalysts for the selective cis-1,4-polymerisation of butadiene. |
| Authors of publication | Cariou, Renan; Chirinos, Juan J.; Gibson, Vernon C.; Jacobsen, Grant; Tomov, Atanas K.; Britovsek, George J. P.; White, Andrew J. P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 38 |
| Pages of publication | 9039 - 9045 |
| a | 22.6305 ± 0.0003 Å |
| b | 8.25098 ± 0.0001 Å |
| c | 28.3753 ± 0.0004 Å |
| α | 90° |
| β | 112.295 ± 0.0015° |
| γ | 90° |
| Cell volume | 4902.24 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 1.54248 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7026413.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. |
7026413.cif |
| 93493 | 2014-01-13 | cif/ Adding structures of 7026413, 7026414, 7026415, 7026416, 7026417 via cif-deposit CGI script. |
7026413.cif |
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Users of the data should acknowledge the original authors of the
structural data.