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Information card for entry 7025402
Preview
| Coordinates | 7025402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H26 Cr F9 N8 O9 S3 |
|---|---|
| Calculated formula | C45 H26 Cr F9 N8 O9 S3 |
| SMILES | [Cr]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4ccc5ccc[n]2c5c14)[n]1c2c4[n]3cccc4c3nc4ccccc4nc3c2ccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Substituted dipyridophenazine complexes of Cr(III): synthesis, enantiomeric resolution and binding interactions with calf thymus DNA. |
| Authors of publication | Vasudevan, Suni; Smith, Jayden A.; Wojdyla, Michal; DiTrapani, A.; Kruger, P. E.; McCabe, Thomas; Fletcher, Nicholas C.; Quinn, Susan J.; Kelly, John M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 16 |
| Pages of publication | 3990 - 3998 |
| a | 10.331 ± 0.003 Å |
| b | 13.214 ± 0.003 Å |
| c | 19.073 ± 0.005 Å |
| α | 72.494 ± 0.018° |
| β | 74.473 ± 0.019° |
| γ | 68.319 ± 0.015° |
| Cell volume | 2271.2 ± 1.1 Å3 |
| Cell temperature | 124 ± 2 K |
| Ambient diffraction temperature | 124 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1069 |
| Residual factor for significantly intense reflections | 0.0873 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| Diffraction radiation wavelength | 0.7107 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. |
7025402.cif |
| 179960 | 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 7/02/54. |
7025402.cif |
| 93023 | 2014-01-12 | cif/ Adding structures of 7025402, 7025403 via cif-deposit CGI script. |
7025402.cif |
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