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Information card for entry 7003005
Preview
| Coordinates | 7003005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | fac-(1,4,7-tritiacyclononane)-(dimethylsulfoxide,S)-(5-methyl-5'-carboxyl- 2,2'-bipyridine)-ruthenium(II) bis(triflate) |
|---|---|
| Formula | C22 H28 F6 N2 O9 Ru S6 |
| Calculated formula | C22 H28 F6 N2 O9 Ru S6 |
| SMILES | [Ru]123([S]4CC[S]1CC[S]2CC4)([S](=O)(C)C)[n]1ccc(cc1c1[n]3ccc(c1)C(=O)O)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Synthetic strategies towards ruthenium‒porphyrin conjugates for anticancer activity |
| Authors of publication | Gianferrara, Teresa; Bratsos, Ioannis; Iengo, Elisabetta; Milani, Barbara; Oštrić, Adrian; Spagnul, Cinzia; Zangrando, Ennio; Alessio, Enzo |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 48 |
| Pages of publication | 10742 - 10756 |
| a | 10.026 ± 0.003 Å |
| b | 23.075 ± 0.004 Å |
| c | 14.057 ± 0.003 Å |
| α | 90° |
| β | 96.4 ± 0.02° |
| γ | 90° |
| Cell volume | 3231.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0773 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179734 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/30. |
7003005.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003005.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003005.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7003005.cif |
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