Information card for entry 4311154

Structure parameters

• Formula: C10 H19 Cl4 N2 O2 Ru S4
• Calculated formula: C10 H19 Cl4 N2 O2 Ru S4
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1cscc1.S(=O)(C)C.s1c[nH+]cc1
• Title of publication: Synthesis, Structural Characterization, Solution Chemistry, and Preliminary Biological Studies of the Ruthenium(III) Complexes [TzH][trans-RuCl4(Tz)2] and [TzH][trans-RuCl4(DMSO)(Tz)].(DMSO), the Thiazole Analogues of Antitumor ICR and NAMI-A
• Authors of publication: Pasquale Mura; Mercedes Camalli; Luigi Messori; Francesca Piccioli; Piero Zanello; Maddalena Corsini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3863 - 3870
• a: 7.676 ± 0.002 Å
• b: 8.694 ± 0.002 Å
• c: 15.866 ± 0.004 Å
• α: 80.02 ± 0.02°
• β: 87.45 ± 0.02°
• γ: 84.55 ± 0.02°
• Cell volume: 1037.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections: 0.912
• Goodness-of-fit parameter for significantly intense reflections: 0.912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No