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Information card for entry 7212602
Preview
| Coordinates | 7212602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H88 F12 N6 O22 Ru4 S4 |
|---|---|
| Calculated formula | C92 H84 F12 N6 O22 Ru4 S4 |
| SMILES | [Ru]1234567(Oc8c(O1)cc1O[Ru]9%10%11%12%13([n]%14cccc%15c%16c([n]([Ru]%17%18%19%20%21%22(Oc%23c(O%17)cc%17O[Ru]%24%25%26%27%28(Oc%17c%23)([n]%17c%23ccc%29[n]2cccc%29c%23ccc%17)[cH]2[c]%25([cH]%27[cH]%24[c]%26([cH]%282)C(C)C)C)[cH]2[cH]%18[c]%21([cH]%19[cH]%22[c]%202C(C)C)C)ccc%16)ccc%14%15)(Oc1c8)[cH]1[c]9([cH]%12[cH]%11[c]%13([cH]%101)C(C)C)C)[c]1([cH]3[cH]7[c]5([cH]6[cH]41)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].O.c12ncccc1c1c(cc2)nccc1.O |
| Title of publication | Molecular architecture of redox-active half-sandwich Ru(ii) cyclic assemblies. Interactions with biomolecules and anticancer activity |
| Authors of publication | Linares, Fátima; Procopio, Elsa Quartapelle; Galindo, Miguel A.; Romero, M. Angustias; Navarro, Jorge A. R.; Barea, Elisa |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 2343 |
| a | 12.424 ± 0.003 Å |
| b | 27.645 ± 0.006 Å |
| c | 14.359 ± 0.003 Å |
| α | 90° |
| β | 93.55 ± 0.03° |
| γ | 90° |
| Cell volume | 4922.3 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.1519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180457 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26. |
7212602.cif |
| 93154 | 2014-01-12 | cif/ Adding structures of 7212602 via cif-deposit CGI script. |
7212602.cif |
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Users of the data should acknowledge the original authors of the
structural data.