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Information card for entry 4308107
Preview
| Coordinates | 4308107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (OC-6-43)-Bis(9-bromo-6-(E)-[(alpha-picolyl-kappaN)imino-kappaN]- 7,12-dihydroindolo[3,2-d][1]benzazepine)chloro(dimethyl sulfoxide) ruthenium(II) chloride 2.8ethanol 0.2water |
|---|---|
| Formula | C51.6 H55.2 Br2 Cl2 N8 O4 Ru S |
| Calculated formula | C51.6 H54.8 Br2 Cl2 N8 O4 Ru S |
| 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 | 12.4094 ± 0.0003 Å |
| b | 12.8933 ± 0.0003 Å |
| c | 18.5633 ± 0.0005 Å |
| α | 106.807 ± 0.002° |
| β | 92.525 ± 0.002° |
| γ | 108.003 ± 0.002° |
| Cell volume | 2674.83 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0644 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4308107.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308107.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308107.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308107.cif |
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