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Information card for entry 7033374
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| Coordinates | 7033374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-(sodium-bis(nitromethane)-trans-[tetra-miu-chlorido-bis(1-ethylindazole)ruthenate(III) |
|---|---|
| Formula | C20 H26 Cl4 N6 Na O4 Ru |
| Calculated formula | C20 H26 Cl4 N6 Na O4 Ru |
| SMILES | N(=O)(=O)C.[Na+].C(C)n1c2c(c[n]1[Ru](Cl)(Cl)(Cl)(Cl)[n]1cc3ccccc3n1CC)cccc2.CN(=O)=O |
| Title of publication | Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential. |
| Authors of publication | Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 659 - 668 |
| a | 7.6282 ± 0.0004 Å |
| b | 25.0359 ± 0.0015 Å |
| c | 7.5616 ± 0.0005 Å |
| α | 90° |
| β | 110.609 ± 0.0018° |
| γ | 90° |
| Cell volume | 1351.68 ± 0.14 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180039 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33. |
7033374.cif |
| 130992 | 2015-02-04 | cif/ Updating files of 7033373, 7033374, 7033375 Original log message: Adding full bibliography for 7033373--7033375.cif. |
7033374.cif |
| 128497 | 2014-12-10 | cif/ Adding structures of 7033373, 7033374, 7033375 via cif-deposit CGI script. |
7033374.cif |
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