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Information card for entry 4318411
Preview
| Coordinates | 4318411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H32 Cl Co N6 O6 |
|---|---|
| Calculated formula | C21 H32 Cl Co N6 O6 |
| SMILES | C[Co]123([n]4ccccc4C[NH]1[C@@H](C)C(C)=[N]2O)N(=C([C@@H](C)[NH]3Cc1ccccn1)C)=O.[O-]Cl(=O)(=O)=O.C[Co]123([n]4ccccc4C[NH]1[C@H](C)C(C)=[N]2O)N(=C([C@H](C)[NH]3Cc1ccccn1)C)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | New Alkyl-Cobalt(III) Complexes Containing Chiral Centers in the Chelating System |
| Authors of publication | Renata Dreos; Alessandro Felluga; Giorgio Nardin; Lucio Randaccio; Mauro Sandri; Giovanni Tauzher |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4548 - 4554 |
| a | 12.131 ± 0.003 Å |
| b | 26.305 ± 0.005 Å |
| c | 15.79 ± 0.003 Å |
| α | 90° |
| β | 95.27 ± 0.09° |
| γ | 90° |
| Cell volume | 5017 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1072 |
| Residual factor for significantly intense reflections | 0.0858 |
| Weighted residual factors for significantly intense reflections | 0.247 |
| Weighted residual factors for all reflections included in the refinement | 0.271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179264 (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 4/31/84. |
4318411.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318411.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318411.cif |
| 30754 | 2011-12-05 | smi/4 Adding SMILES of perchlorate containing compounds. |
4318411.cif |
| 15124 | 2011-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4318411 via cif-deposit CGI script. |
4318411.cif |
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