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Information card for entry 4079517
Preview
| Coordinates | 4079517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H43 Cl3 Fe2 N6 O6 Ru |
|---|---|
| Calculated formula | C53 H43 Cl3 Fe2 N6 O6 Ru |
| SMILES | [Ru]123(Oc4c(Cl)cc(Cl)cc4c4[nH]c(c([n]14)/C=C/[c]14[Fe]56789%10%11([cH]1[cH]5[cH]6[cH]47)[cH]1[cH]8[cH]9[cH]%10[cH]%111)/C=C/[c]14[cH]5[Fe]6789%10%111([cH]4[cH]6[cH]57)[cH]1[cH]8[cH]9[cH]%10[cH]%111)([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31.Cl(=O)(=O)(=O)[O-].O |
| Title of publication | Oxidative Cleavage of DNA by Ruthenium(II) Complexes Containing a Ferrocene/Non-Ferrocene Conjugated Imidazole Phenol Ligand |
| Authors of publication | Sathyaraj, Gopal; Kiruthika, Mathiyalagan; Weyhermüller, Thomas; Unni Nair, Balachandran |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 19 |
| Pages of publication | 6980 |
| a | 7.2298 ± 0.0015 Å |
| b | 12.45 ± 0.002 Å |
| c | 27.612 ± 0.004 Å |
| α | 97.52 ± 0.02° |
| β | 96.02 ± 0.02° |
| γ | 104.13 ± 0.02° |
| Cell volume | 2365.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| 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 |
|---|---|---|---|
| 178684 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/95. |
4079517.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079517.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079517.cif |
| 72464 | 2013-01-21 | cif/ Adding structures of 4079517 via cif-deposit CGI script. |
4079517.cif |
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Users of the data should acknowledge the original authors of the
structural data.