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Information card for entry 4069696
Preview
| Coordinates | 4069696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H92 F6 N4 O14 Ru4 S2 |
|---|---|
| Calculated formula | C82 H92 F6 N4 O14 Ru4 S2 |
| SMILES | c1cc2c3cc[n](cc3)[Ru]345678(Oc9cc%10c(cc9O3)O[Ru]39%11%12%13([n]%14ccc(cc%14)c%14cc[n]([Ru]%15%16%17%18%19%20(Oc%21cc%22O[Ru]%23%24%25%26%27([n]1cc2)([c]1([c]%25([c]%26([c]%27([c]%24([c]%231C)C)C)C)C)C)Oc%22cc%21O%15)[c]1([c]%20([c]%19([c]%17([c]%16([c]%181C)C)C)C)C)C)cc%14)(O%10)[c]1([c]3([c]%11([c]%13([c]%12([c]91C)C)C)C)C)C)[c]1([c]4([c]6([c]8([c]7([c]51C)C)C)C)C)C.FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-] |
| 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 | 15.2127 ± 0.0011 Å |
| b | 9.9525 ± 0.0005 Å |
| c | 20.6506 ± 0.0014 Å |
| α | 90° |
| β | 109.011 ± 0.005° |
| γ | 90° |
| Cell volume | 2956.1 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 10 |
| Hermann-Mauguin space group symbol | P 1 2/m 1 |
| Hall space group symbol | -P 2y |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1252 |
| Weighted residual factors for all reflections included in the refinement | 0.1311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| 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. |
4069696.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069696.cif |
| 40396 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069696 via cif-deposit CGI script. |
4069696.cif |
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Users of the data should acknowledge the original authors of the
structural data.