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Information card for entry 7029999
Preview
| Coordinates | 7029999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H14 Cl2 N6 O |
|---|---|
| Calculated formula | C18 H14 Cl2 N6 O |
| SMILES | [nH+]1c2c(ccc1)c1nnc(nc1c1c2nccc1)c1[nH+]cccc1.[Cl-].[Cl-].O |
| Title of publication | Heterodinuclear ruthenium(II)-cobalt(III) complexes as models for a new approach to selective cancer treatment. |
| Authors of publication | Downward, Alan M.; Jane, Reuben T.; Polson, Matthew I. J.; Moore, Evan G.; Hartshorn, Richard M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 47 |
| Pages of publication | 14425 - 14432 |
| a | 8.3203 ± 0.0002 Å |
| b | 9.8047 ± 0.0003 Å |
| c | 11.3191 ± 0.0004 Å |
| α | 112.382 ± 0.001° |
| β | 93.764 ± 0.002° |
| γ | 93.041 ± 0.002° |
| Cell volume | 848.93 ± 0.05 Å3 |
| Cell temperature | 118 ± 2 K |
| Ambient diffraction temperature | 118 ± 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
7029999.cif |
| 180005 | 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. |
7029999.cif |
| 111063 | 2014-04-20 | cif/ Adding structures of 7029999, 7030000 via cif-deposit CGI script. |
7029999.cif |
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Users of the data should acknowledge the original authors of the
structural data.