Information card for entry 4313399

Structure parameters

• Common name: trans,cis-[RuCl2(Hbpp)(dmso)2]
• Formula: C18 H26 Cl2 N4 O3 Ru S2
• Calculated formula: C18 H25 Cl2 N4 O3 Ru S2
• SMILES: [Ru]1(Cl)(Cl)([S](=O)(C)C)([S](=O)(C)C)[n]2ccccc2c2[n]1[nH]c(c2)c1ncccc1.OC
• Title of publication: Synthesis, Structure, and Spectroscopic, Photochemical, Redox, and Catalytic Properties of Ruthenium(II) Isomeric Complexes Containing Dimethyl Sulfoxide, Chloro, and the Dinucleating Bis(2-pyridyl)pyrazole Ligands
• Authors of publication: Cristina Sens; Montserrat Rodríguez; Isabel Romero; Antoni Llobet; Teodor Parella; Brian Patrick Sullivan; Jordi Benet-Buchholz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2040 - 2048
• a: 11.186 ± 0.002 Å
• b: 13.902 ± 0.003 Å
• c: 15.629 ± 0.003 Å
• α: 90°
• β: 99.38 ± 0.03°
• γ: 90°
• Cell volume: 2397.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No