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Information card for entry 4308109
Preview
| Coordinates | 4308109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (OC-6-14)-Dichlorobis(dimethyl sulfoxide)(6-(E)-[alpha-picolyl- kappaN]-7,12-dihydroindolo[3,2-d][1]benzazepine]ruthenium(II) diethanol solvate |
|---|---|
| Formula | C30 H42 Cl2 N4 O4 Ru S2 |
| Calculated formula | C30 H42 Cl2 N4 O4 Ru S2 |
| SMILES | [Ru]1(Cl)(Cl)([S](=O)(C)C)([S](=O)(C)C)[N](=C2Nc3c(c4[nH]c5ccccc5c4C2)cccc3)Cc2[n]1cccc2.OCC.OCC |
| Title of publication | The First Ruthenium-Based Paullones: Syntheses, X-ray Diffraction Structures, and Spectroscopic and Antiproliferative Properties in Vitro |
| Authors of publication | Wolfgang F. Schmid; Stefanie Zorbas-Seifried; Roland O. John; Vladimir B. Arion; Michael A. Jakupec; Alexander Roller; Markus Galanski; Ion Chiorescu; Haralabos Zorbas; Bernhard K. Keppler |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3645 - 3656 |
| a | 15.366 ± 0.003 Å |
| b | 7.5306 ± 0.0015 Å |
| c | 29.65 ± 0.006 Å |
| α | 90° |
| β | 104.11 ± 0.03° |
| γ | 90° |
| Cell volume | 3327.4 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0567 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179119 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/81. |
4308109.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308109.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308109.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308109.cif |
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