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Information card for entry 4308347
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| Coordinates | 4308347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | trans,trans,trans-[Diichlorobis(indazole)bis(dimethyl sulphide) ruthenium(II)] |
|---|---|
| Formula | C18 H24 Cl2 N4 Ru S2 |
| Calculated formula | C18 H24 Cl2 N4 Ru S2 |
| SMILES | c1ccc2[nH][n]([Ru]([S](C)C)([n]3cc4ccccc4[nH]3)([S](C)C)(Cl)Cl)cc2c1 |
| Title of publication | Reactions of Potent Antitumor Complex trans-[RuIIICl4(indazole)2]- with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action |
| Authors of publication | Alexander Egger; Vladimir B. Arion; Erwin Reisner; Berta Cebrián-Losantos; Sergiu Shova; Günter Trettenhahn; Bernhard K. Keppler |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 122 - 132 |
| a | 15.725 ± 0.003 Å |
| b | 9.883 ± 0.002 Å |
| c | 14.08 ± 0.003 Å |
| α | 90° |
| β | 102.39 ± 0.03° |
| γ | 90° |
| Cell volume | 2137.2 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179121 (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 4/30/83. |
4308347.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308347.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308347.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308347.cif |
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Users of the data should acknowledge the original authors of the
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