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Information card for entry 7052648
Preview
| Coordinates | 7052648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C145 H109 Co8 N25 O14 |
|---|---|
| Calculated formula | C145 H107 Co8 N25 O14 |
| SMILES | [Co]123(Oc4ccccc4c4n2[n]2[Co]56[O]=C(O[Co]7(O5)n5[n]8[Co]9(Oc%10c(c8cc5c5cccc(c2c4)c5)cccc%10)(Oc2c(c4[n]9n7c(c5cccc(c7[n]6n3c(c3c(O1)cccc3)c7)c5)c4)cccc2)([n]1ccccc1)[n]1ccccc1)C)([n]1ccccc1)[n]1ccccc1.n1ccccc1 |
| Title of publication | Molecular [Co(iii)Co(ii)] ×2 assemblies of a new bis-phenol/pyrazolyl ligand |
| Authors of publication | Craig, Gavin A.; Costa, José Sánchez; Aguilà, David; Barrios, Leoní A.; Roubeau, Olivier; Teat, Simon J.; Aromí, Guillem |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 6 |
| Pages of publication | 1202 |
| a | 16.133 ± 0.003 Å |
| b | 23.373 ± 0.005 Å |
| c | 23.517 ± 0.005 Å |
| α | 88.14 ± 0.03° |
| β | 76.5 ± 0.03° |
| γ | 80.03 ± 0.03° |
| Cell volume | 8492 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1792 |
| Residual factor for significantly intense reflections | 0.1561 |
| Weighted residual factors for significantly intense reflections | 0.4118 |
| Weighted residual factors for all reflections included in the refinement | 0.4437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.741 |
| Diffraction radiation wavelength | 0.7383 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180080 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052648.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052648.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052648.cif |
| 23556 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052647, 7052648 via cif-deposit CGI script. |
7052648.cif |
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