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Information card for entry 4338826
Preview
Coordinates | 4338826.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (hapta^6^-p-Cymene)[6-(4-methylpiperazin-1-ium)-kappaN-(pyridin-2-yl-methylene)-11H- indolo[3,2-c]quinolin-2-kappaN-amine]chloridoruthenium(II) dichloride ethanol water solvate |
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Formula | C38 H49 Cl3 N6 O3 Ru |
Calculated formula | C38 H49 Cl3 N6 O3 Ru |
SMILES | [Ru]123456(Cl)([N](c7cc8c(cc7)nc(c7c9ccccc9[nH]c87)N7CC[NH+](CC7)C)=Cc7cccc[n]17)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[Cl-].[Cl-].O.O.OCC |
Title of publication | Effect of the Piperazine Unit and Metal-Binding Site Position on the Solubility and Anti-Proliferative Activity of Ruthenium(II)- and Osmium(II)- Arene Complexes of Isomeric Indolo[3,2-c]quinoline-Piperazine Hybrids. |
Authors of publication | Filak, Lukas K.; Kalinowski, Danuta S.; Bauer, Theresa J.; Richardson, Des R.; Arion, Vladimir B. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 13 |
Pages of publication | 6934 - 6943 |
a | 19.2712 ± 0.0014 Å |
b | 7.8687 ± 0.0005 Å |
c | 25.5459 ± 0.0019 Å |
α | 90° |
β | 91.724 ± 0.004° |
γ | 90° |
Cell volume | 3872 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0899 |
Residual factor for significantly intense reflections | 0.0519 |
Weighted residual factors for significantly intense reflections | 0.0997 |
Weighted residual factors for all reflections included in the refinement | 0.1137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4338826.html
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