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Information card for entry 4078789
Preview
Coordinates | 4078789.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Chlorido(η^6^-p-cymene)(thionalidixicato-κ^2^S,O)ruthenium(II)] |
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Chemical name | [Chlorido(η^6^-p-ispropyltoluene)(1-ethyl-7-methyl-4-thioxo-1,4-dihydro- 1,8-naphthyridine-3-carboxylato-κ^2^S,O)ruthenium(II)] |
Formula | C22 H25 Cl N2 O2 Ru S |
Calculated formula | C22 H25 Cl N2 O2 Ru S |
SMILES | [Ru]123456(Cl)([S]=c7c(cn(CC)c8nc(ccc78)C)C(=O)O1)[cH]1[cH]4[c]6([cH]2[cH]3[c]51C)C(C)C |
Title of publication | Synthesis and Biological Evaluation of the Thionated Antibacterial Agent Nalidixic Acid and Its Organoruthenium(II) Complex |
Authors of publication | Hudej, Rosana; Kljun, Jakob; Kandioller, Wolfgang; Repnik, Urška; Turk, Boris; Hartinger, Christian G.; Keppler, Bernhard K.; Miklavčič, Damijan; Turel, Iztok |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 16 |
Pages of publication | 5867 |
a | 12.2776 ± 0.0004 Å |
b | 13.2829 ± 0.0006 Å |
c | 12.8789 ± 0.0005 Å |
α | 90° |
β | 90.893 ± 0.002° |
γ | 90° |
Cell volume | 2100.06 ± 0.14 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0872 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.0954 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.287 |
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/4078789.html
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