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Information card for entry 4312630
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Coordinates | 4312630.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | cis-[bis(N^1,S^2 2-thiopyrimidinato-1,3)bis (triphenylphosphine)ruthenium(II)] |
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Formula | C44 H36 N4 P2 Ru S2 |
Calculated formula | C44 H36 N4 P2 Ru S2 |
SMILES | [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Sc3[n]1cccn3)Sc1[n]2cccn1 |
Title of publication | Study of Ruthenium(II) Complexes with Anticancer Drugs as Ligands. Design of Metal-Based Phototherapeutic Agents |
Authors of publication | Renzo Cini; Gabriella Tamasi; Sandra Defazio; Maddalena Corsini; Piero Zanello; Luigi Messori; Giordana Marcon; Francesca Piccioli; Pierluigi Orioli |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8038 - 8052 |
a | 11.188 ± 0.003 Å |
b | 13.194 ± 0.003 Å |
c | 14.853 ± 0.004 Å |
α | 77.04 ± 0.02° |
β | 71.39 ± 0.02° |
γ | 66.41 ± 0.02° |
Cell volume | 1892.4 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0369 |
Residual factor for significantly intense reflections | 0.0322 |
Weighted residual factors for significantly intense reflections | 0.0851 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
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/4312630.html
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