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Information card for entry 7029948
Preview
| Coordinates | 7029948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H72 Cl6 Co3 N24 O16 |
|---|---|
| Calculated formula | C44 H72 Cl6 Co3 N24 O16 |
| SMILES | C(O)C12n3ccc[n]3[Co]34([n]5cccn15)([n]1n2ccc1)[n]1cccn1C(CO)(n1ccc[n]31)n1ccc[n]41.C(O)C12n3ccc[n]3[Co]([n]3cccn13)([n]1cccn21)([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-].O.O.O.C(O)C12n3ccc[n]3[Co]([n]3cccn13)([n]1cccn21)([OH2])([OH2])[OH2].[Cl-].[Cl-].[Cl-].O.O.O |
| Title of publication | Cobalt complexes bearing scorpionate ligands: synthesis, characterization, cytotoxicity and DNA cleavage. |
| Authors of publication | Silva, Telma F. S.; Martins, Luísa M D R S; Guedes da Silva, M Fátima C; Fernandes, Alexandra R.; Silva, Ana; Borralho, Pedro M.; Santos, Susana; Rodrigues, Cecília M P; Pombeiro, Armando J. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 41 |
| Pages of publication | 12888 - 12897 |
| a | 11.59 ± 0.003 Å |
| b | 11.736 ± 0.002 Å |
| c | 13.908 ± 0.005 Å |
| α | 108.336 ± 0.013° |
| β | 105.474 ± 0.013° |
| γ | 102.185 ± 0.009° |
| Cell volume | 1638.2 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0782 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1466 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180005 (current) | 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 7/02/99. |
7029948.cif |
| 111037 | 2014-04-20 | cif/ Adding structures of 7029947, 7029948 via cif-deposit CGI script. |
7029948.cif |
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