Information card for entry 4312630

Structure parameters

• Chemical name: cis-[bis(N^1,S^2 2-thiopyrimidinato-1,3)bis (triphenylphosphine)ruthenium(II)]
• 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 ų
• 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