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Information card for entry 4315001
Preview
| Coordinates | 4315001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C156 H154 N24 Ni12 O53 |
|---|---|
| Calculated formula | C156 H144 N24 Ni12 O53 |
| SMILES | [Ni]1234([O]5[Ni]67[n]8c(cccc8C(=[N]7O1)C)C(=[N]6O[Ni]5([O]=C(O2)c1ccccc1)(OC(=O)c1ccccc1)(OC(=O)c1ccccc1)[OH2])C)[n]1c(cccc1C(=[N]4O)C)C(=[N]3O)C.O.O |
| Title of publication | First Structural and Magnetic Studies of Ni Clusters Containing 2,6-Diacetylpyridine-dioxime as a Ligand |
| Authors of publication | Albert Escuer; Jordi Esteban; Núria Aliaga-Alcalde; Mercé Font-Bardia; Teresa Calvet; Olivier Roubeau; Simon J. Teat |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 2259 - 2266 |
| a | 13.1697 ± 0.0009 Å |
| b | 29.501 ± 0.002 Å |
| c | 44.867 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 17432 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0661 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179230 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/50. |
4315001.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315001.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315001.cif |
| 8144 | 2011-02-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4315001 via cif-deposit CGI script. |
4315001.cif |
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Users of the data should acknowledge the original authors of the
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