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Information card for entry 4080036
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Coordinates | 4080036.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [(hapto^6^-p-Cymene)(6-chloro-11h-indolo[3,2-c]quinolin-2-yl)- (1-kappaN-pyridin-2-yl-methylidene)-kappaN-amine-chloridoruthenium(II)]chloride |
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Formula | C31 H35 Cl3 N4 O4 Ru |
Calculated formula | C31 H35 Cl3 N4 O4 Ru |
SMILES | [Ru]123456(Cl)([N](c7cc8c9[nH]c%10ccccc%10c9c(Cl)nc8cc7)=Cc7[n]1cccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.Cl.O.O.O.O |
Title of publication | Metal‒Arene Complexes with Indolo[3,2-c]-quinolines: Effects of Ruthenium vs Osmium and Modifications of the Lactam Unit on Intermolecular Interactions, Anticancer Activity, Cell Cycle, and Cellular Accumulation |
Authors of publication | Filak, Lukas K.; Göschl, Simone; Heffeter, Petra; Ghannadzadeh Samper, Katia; Egger, Alexander E.; Jakupec, Michael A.; Keppler, Bernhard K.; Berger, Walter; Arion, Vladimir B. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 3 |
Pages of publication | 903 |
a | 9.8541 ± 0.0007 Å |
b | 12.92 ± 0.001 Å |
c | 13.3236 ± 0.001 Å |
α | 107.902 ± 0.005° |
β | 104.282 ± 0.005° |
γ | 94.798 ± 0.005° |
Cell volume | 1540.7 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1361 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4080036.html
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structural data.