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Information card for entry 4089686
Preview
Coordinates | 4089686.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Chlorido(methyl 4-oxido-2-ethyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide)(6-p-cymene)ruthenium(II) |
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Formula | C22 H26 Cl N O5 Ru S |
Calculated formula | C22 H26 Cl N O5 Ru S |
SMILES | [Ru]123456(Cl)([O]=C(C7N(S(=O)(=O)c8ccccc8C=7O1)CC)OC)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C |
Title of publication | Anticancer Ruthenium(η6-p-cymene) Complexes of Nonsteroidal Anti-inflammatory Drug Derivatives |
Authors of publication | Aman, Farhana; Hanif, Muhammad; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Filak, Lukas K.; Reynisson, Jóhannes; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5546 |
a | 10.8406 ± 0.0003 Å |
b | 7.6269 ± 0.0002 Å |
c | 14.2269 ± 0.0004 Å |
α | 90° |
β | 108.998 ± 0.001° |
γ | 90° |
Cell volume | 1112.21 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0241 |
Residual factor for significantly intense reflections | 0.0233 |
Weighted residual factors for significantly intense reflections | 0.0556 |
Weighted residual factors for all reflections included in the refinement | 0.0564 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4089686.html
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Users of the data should acknowledge the original authors of the
structural data.