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Information card for entry 4069695
Preview
| Coordinates | 4069695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H124 Cl4 F12 N4 O24 Ru4 S4 |
|---|---|
| Calculated formula | C102 H124 Cl4 F12 N4 O24 Ru4 S4 |
| SMILES | c12c3c(c4c(c1Cl)O[Ru]15678([n]9ccc(cc9)/C=C/c9cc[n](cc9)[Ru]9%10%11%12%13%14(Oc%15c(c(c%16c(c%15Cl)O[Ru]%15%17%18%19%20([n]%21ccc(cc%21)/C=C/c%21cc[n](cc%21)[Ru]%21%22%23%24%25(O2)(O3)[c]2([c]%25([c]%24([c]%23([c]%22([c]%212C)C)C)C)C)C)(O%16)[c]2([c]%15([c]%17([c]%18([c]%19([c]%202C)C)C)C)C)C)Cl)O9)[c]2([c]%14([c]%13([c]%12([c]%11([c]%102C)C)C)C)C)C)(O4)[c]2([c]8([c]7([c]6([c]5([c]12C)C)C)C)C)C)Cl.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CC(=O)C.CCOCC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CC(=O)C.CCOCC |
| Title of publication | Synthesis, Molecular Structure, and Anticancer Activity of Cationic Arene Ruthenium Metallarectangles |
| Authors of publication | Mattsson, Johan; Govindaswamy, Padavattan; Renfrew, Anna K.; Dyson, Paul J.; Štěpnička, Petr; Süss-Fink, Georg; Therrien, Bruno |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 15 |
| Pages of publication | 4350 |
| a | 13.9532 ± 0.0007 Å |
| b | 15.4561 ± 0.0008 Å |
| c | 15.8403 ± 0.0009 Å |
| α | 66.311 ± 0.004° |
| β | 64.864 ± 0.004° |
| γ | 76.075 ± 0.004° |
| Cell volume | 2822 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
4069695.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069695.cif |
| 40395 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069695 via cif-deposit CGI script. |
4069695.cif |
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Users of the data should acknowledge the original authors of the
structural data.