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Information card for entry 7027591
Preview
| Coordinates | 7027591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | trans(N)-bis(alaninato)(2,2'-bipyridine)cobalt(III) perchlorate monohydrate |
|---|---|
| Formula | C16 H22 Cl Co N4 O9 |
| Calculated formula | C16 H22 Cl Co N4 O9 |
| SMILES | [Co]123([NH2][C@@H](C)C(=O)O1)([NH2][C@H](C(=O)O2)C)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O.[Co]123([NH2][C@H](C)C(=O)O1)([NH2][C@@H](C(=O)O2)C)[n]1ccccc1c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Formation of trans(N)-bis(amino acidato)(2,2′-bipyridine)cobalt(III) complexes following the UV irradiation of amino acidatobis(2,2′bipyridine)cobalt(III) complexes in dimethyl sulfoxide |
| Authors of publication | Hartshorn, Richard M.; Telfer, Shane G. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 18 |
| Pages of publication | 3217 |
| a | 10.556 ± 0.007 Å |
| b | 10.345 ± 0.007 Å |
| c | 18.62 ± 0.03 Å |
| α | 90° |
| β | 99.06 ± 0.08° |
| γ | 90° |
| Cell volume | 2008 ± 4 Å3 |
| Cell temperature | 144 ± 2 K |
| Ambient diffraction temperature | 144 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1134 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7027591.cif |
| 179981 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/75. |
7027591.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7027591.cif |
| 95514 | 2014-01-28 | cif/ Adding structures of 7027590, 7027591 via cif-deposit CGI script. |
7027591.cif |
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