Information card for entry 4311948

Structure parameters

• Chemical name: Bis(triphenylphosphoranylidene)ammonium trans-tetrachloro- dimethylsulfoxidetriazoleruthenate(III)
• Formula: C40 H39 Cl4 N4 O P2 Ru S
• Calculated formula: C40 H39 Cl4 N4 O P2 Ru S
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1cn[nH]c1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tuning of Redox Potentials for the Design of Ruthenium Anticancer Drugs - an Electrochemical Study of [trans-RuCl4L(DMSO)]- and [trans-RuCl4L2]- Complexes, where L = Imidazole, 1,2,4-Triazole, Indazole
• Authors of publication: Erwin Reisner; Vladimir B. Arion; M. Fátima C. Guedes da Silva; Roman Lichtenecker; Anna Eichinger; Bernhard K. Keppler; Vadim Yu. Kukushkin; Armando J.L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7083 - 7093
• a: 17.029 ± 0.003 Å
• b: 16.428 ± 0.003 Å
• c: 14.653 ± 0.003 Å
• α: 90°
• β: 103.32 ± 0.03°
• γ: 90°
• Cell volume: 3988.9 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No