Information card for entry 2207529

Structure parameters

• Chemical name: mer-(2,2'-Bipyridine)trichloro(tetramethylene sulfoxide)ruthenium(III) dichloromethane solvate
• Formula: C15 H18 Cl5 N2 O Ru S
• Calculated formula: C15 H18 Cl5 N2 O Ru S
• SMILES: [Ru]1(Cl)(Cl)(Cl)([S]2(=O)CCCC2)[n]2ccccc2c2[n]1cccc2.ClCCl
• Title of publication: <i>mer</i>-(2,2'-Bipyridine)trichloro(tetramethylene sulfoxide)ruthenium(III) dichloromethane solvate
• Authors of publication: Srivastava, Radhey S.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2572 - m2574
• a: 12.804 ± 0.002 Å
• b: 10.139 ± 0.002 Å
• c: 15.734 ± 0.002 Å
• α: 90°
• β: 96.703 ± 0.011°
• γ: 90°
• Cell volume: 2028.6 ± 0.6 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.077
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes