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Information card for entry 4069670
Preview
| Coordinates | 4069670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,4-(CH3)C6H4FRu(Cl2)PTA |
|---|---|
| Formula | C13 H19 Cl2 F N3 P Ru |
| Calculated formula | C13 H19 Cl2 F N3 P Ru |
| SMILES | [Ru]12345(Cl)(Cl)([P]67CN8CN(C7)CN(C6)C8)[c]6(F)[cH]1[cH]2[c]3([cH]4[cH]56)C |
| Title of publication | Tuning the Efficacy of Ruthenium(II)-Arene (RAPTA) Antitumor Compounds with Fluorinated Arene Ligands |
| Authors of publication | Renfrew, Anna K.; Phillips, Andrew D.; Tapavicza, Enrico; Scopelliti, Rosario; Rothlisberger, Ursula; Dyson, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 17 |
| Pages of publication | 5061 |
| a | 7.0518 ± 0.0003 Å |
| b | 10.8932 ± 0.0005 Å |
| c | 10.9145 ± 0.0005 Å |
| α | 110.878 ± 0.004° |
| β | 94.109 ± 0.003° |
| γ | 94.542 ± 0.003° |
| Cell volume | 776.4 ± 0.06 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.016 |
| Residual factor for significantly intense reflections | 0.015 |
| Weighted residual factors for significantly intense reflections | 0.0387 |
| Weighted residual factors for all reflections included in the refinement | 0.0392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178585 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/96. |
4069670.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069670.cif |
| 40382 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069664, 4069665, 4069666, 4069667, 4069668, 4069669, 4069670 via cif-deposit CGI script. |
4069670.cif |
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Users of the data should acknowledge the original authors of the
structural data.